tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate

C24H36N2O5 — CID 121294504

IUPACtert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCCOC(=O)CC(c1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CC1
InChIInChI=1S/C24H36N2O5/c1-5-29-22(27)15-20(18-6-7-18)19-8-11-25-21(14-19)30-16-17-9-12-26(13-10-17)23(28)31-24(2,3)4/h8,11,14,17-18,20H,5-7,9-10,12-13,15-16H2,1-4H3
InChIKeyVZSKRVBTIBOSKC-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.55
Rot. Bonds8

About tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate

tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate (PubChem CID 121294504) has the molecular formula C24H36N2O5 and a molecular weight of 432.56 g/mol. Its IUPAC name is tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
PubChem CID121294504
Molecular FormulaC24H36N2O5
Molecular Weight432.56 g/mol
Exact Mass432.26
IUPAC Nametert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate
SMILESCCOC(=O)CC(c1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CC1
InChIInChI=1S/C24H36N2O5/c1-5-29-22(27)15-20(18-6-7-18)19-8-11-25-21(14-19)30-16-17-9-12-26(13-10-17)23(28)31-24(2,3)4/h8,11,14,17-18,20H,5-7,9-10,12-13,15-16H2,1-4H3
InChIKeyVZSKRVBTIBOSKC-UHFFFAOYSA-N
XLogP4.55
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(4-methyl-2-pyridinyl)oxymethyl]piperidine-1-carboxylate
CID 24902513
ethyl 3-cyclopropyl-3-[2-[[1-[2-methoxy-5-(2,2,3,3,3-pentafluoropropylamino)-4-pyridinyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoate
CID 174989546
ethyl (3S)-3-cyclopropyl-3-[2-[[1-(2-methoxy-5-nitro-4-pyridinyl)piperidin-4-yl]methoxy]-4-pyridinyl]propanoate
CID 142441503
ethyl 3-cyclopropyl-3-(2-methyl-4-pyridinyl)propanoate
CID 176905020
ethyl 3-cyclopropyl-3-[2-[[1-[5-methoxy-2-[methyl(2,2,3,3,3-pentafluoropropyl)carbamoyl]phenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoate
CID 121294599
ethyl 3-cyclopropyl-3-[2-[[1-[5-methoxy-2-[(2-methoxy-4-pyridinyl)-(2-methylpropyl)carbamoyl]phenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoate
CID 121294656
tert-butyl 4-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
3-cyclopropyl-3-[2-[[1-[2-(2,2-dimethylpropoxycarbonyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 176905054
tert-butyl 4-[[4-[(1R)-1-hydroxyethyl]-2-pyridinyl]oxy]piperidine-1-carboxylate
CID 124636303
3-cyclopropyl-3-[2-[[1-[2-(2-fluoro-2-methylpropoxy)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 146337248
3-cyclopropyl-3-[2-[[1-[2-(2,2-dimethylpropoxymethyl)-5-methoxyphenyl]piperidin-4-yl]methoxy]-4-pyridinyl]propanoic acid
CID 146337292
tert-butyl 4-[(4-propan-2-ylphenoxy)methyl]piperidine-1-carboxylate
CID 58790148

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate (CID 121294504) is tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate is CCOC(=O)CC(c1ccnc(OCC2CCN(C(=O)OC(C)(C)C)CC2)c1)C1CC1.
What is the InChIKey of tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
The InChIKey is VZSKRVBTIBOSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O5/c1-5-29-22(27)15-20(18-6-7-18)19-8-11-25-21(14-19)30-16-17-9-12-26(13-10-17)23(28)31-24(2,3)4/h8,11,14,17-18,20H,5-7,9-10,12-13,15-16H2,1-4H3.
What are the key properties of tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate?
tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate has a molecular weight of 432.56 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[4-(1-cyclopropyl-3-ethoxy-3-oxopropyl)-2-pyridinyl]oxymethyl]piperidine-1-carboxylate is sourced from PubChem (CID 121294504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).