tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

C17H25N3O3 — CID 41083455

IUPACtert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H25N3O3/c1-12-7-8-18-14(10-12)19-15(21)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,19,21)/t13-/m1/s1
InChIKeyRYSFSAGRLMLPOS-CYBMUJFWSA-N
MW319.40 g/mol
LogP2.98
Rot. Bonds2

About tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (PubChem CID 41083455) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
PubChem CID41083455
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
SMILESCc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C17H25N3O3/c1-12-7-8-18-14(10-12)19-15(21)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,19,21)/t13-/m1/s1
InChIKeyRYSFSAGRLMLPOS-CYBMUJFWSA-N
XLogP2.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-[(4-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 26385053
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290
tert-butyl 3-[(2-hydroxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84555372
tert-butyl 3-[(2-bromo-4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554272
[2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carbonyl]amino]-4-pyridinyl]boronic acid
CID 140853861
tert-butyl 3-[(6-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate
CID 18107272
tert-butyl 3-[(1-methylpyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 18152683
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
tert-butyl 3-[[5-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 58563967
tert-butyl 3-[(4-fluoro-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 122513398
tert-butyl 3-[(4-bromo-3-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 84554271
tert-butyl (3S)-3-[(4-fluorophenyl)carbamoyl]piperidine-1-carboxylate
CID 42053071

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate (CID 41083455) is tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is Cc1ccnc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is RYSFSAGRLMLPOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-7-8-18-14(10-12)19-15(21)13-6-5-9-20(11-13)16(22)23-17(2,3)4/h7-8,10,13H,5-6,9,11H2,1-4H3,(H,18,19,21)/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(4-methyl-2-pyridinyl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 41083455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).