tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide

C70H137N9O11 — CID 157295622

IUPACtert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1
InChIInChI=1S/C13H26N2O2.C13H25NO2.C12H24N2O2.2C11H21NO2.C10H20N2O/c1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-8(2)9-3-5-12(6-4-9)7-10(11)13/h10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyBBHUQXIQJMFCDM-UHFFFAOYSA-N
MW1280.92 g/mol
LogP10.43
Rot. Bonds14

About tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide

tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide (PubChem CID 157295622) has the molecular formula C70H137N9O11 and a molecular weight of 1280.92 g/mol. Its IUPAC name is tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide.

Molecular Properties

Compound Nametert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide
PubChem CID157295622
Molecular FormulaC70H137N9O11
Molecular Weight1280.92 g/mol
Exact Mass1280.04
IUPAC Nametert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide
SMILESCC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1
InChIInChI=1S/C13H26N2O2.C13H25NO2.C12H24N2O2.2C11H21NO2.C10H20N2O/c1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-8(2)9-3-5-12(6-4-9)7-10(11)13/h10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13)
InChIKeyBBHUQXIQJMFCDM-UHFFFAOYSA-N
XLogP10.43
TPSA257.07 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.92
LogP ≤ 510.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 3-[(R)-amino(cyclobutyl)methyl]azetidine-1-carboxylate
CID 124665922
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 5-(1-aminoethyl)azocane-1-carboxylate
CID 166746033
tert-butyl 4-[(1S)-1-iodoethyl]piperidine-1-carboxylate
CID 97175280
tert-butyl 3-(1-amino-2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 24730213
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl 4-[(2R)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583758
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]piperidine-1-carboxylate
CID 124583757
tert-butyl (3S)-3-[(2S)-1-amino-1-oxobutan-2-yl]pyrrolidine-1-carboxylate
CID 166105503

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The IUPAC name of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide (CID 157295622) is tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide.
What is the SMILES notation for tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The canonical SMILES for tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide is CC(C)C1(O)CCCN(C(C)(C)C(N)=O)C1.CC(C)C1CCN(C(=O)OC(C)(C)C)CC1.CC(C)C1CCN(CC(N)=O)CC1.CC(C)C1CN(C(=O)OC(C)(C)C)C1.COC1(C(C)C)CCCN(C(C)(C)C(N)=O)C1.COC1(C(C)C)CCCN(C(C)=O)C1.
What is the InChIKey of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
The InChIKey is BBHUQXIQJMFCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.C13H25NO2.C12H24N2O2.2C11H21NO2.C10H20N2O/c1-10(2)13(17-5)7-6-8-15(9-13)12(3,4)11(14)16;1-10(2)11-6-8-14(9-7-11)12(15)16-13(3,4)5;1-9(2)12(16)6-5-7-14(8-12)11(3,4)10(13)15;1-8(2)9-6-12(7-9)10(13)14-11(3,4)5;1-9(2)11(14-4)6-5-7-12(8-11)10(3)13;1-8(2)9-3-5-12(6-4-9)7-10(11)13/h10H,6-9H2,1-5H3,(H2,14,16);10-11H,6-9H2,1-5H3;9,16H,5-8H2,1-4H3,(H2,13,15);8-9H,6-7H2,1-5H3;9H,5-8H2,1-4H3;8-9H,3-7H2,1-2H3,(H2,11,13).
What are the key properties of tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide?
tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide has a molecular weight of 1280.92 g/mol, XLogP of 10.43, 14 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-propan-2-ylazetidine-1-carboxylate;tert-butyl 4-propan-2-ylpiperidine-1-carboxylate;2-(3-hydroxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;1-(3-methoxy-3-propan-2-ylpiperidin-1-yl)ethanone;2-(3-methoxy-3-propan-2-ylpiperidin-1-yl)-2-methylpropanamide;2-(4-propan-2-ylpiperidin-1-yl)acetamide is sourced from PubChem (CID 157295622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).