methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate

C23H35N3O3 — CID 42518002

IUPACmethyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-29-23(28)10-4-9-22(27)26(18-20-6-5-13-24-16-20)17-19-11-14-25(15-12-19)21-7-2-3-8-21/h5-6,13,16,19,21H,2-4,7-12,14-15,17-18H2,1H3
InChIKeyQQYZXDOGSDCPGL-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.41
Rot. Bonds9

About methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate

methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate (PubChem CID 42518002) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
PubChem CID42518002
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Namemethyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1
InChIInChI=1S/C23H35N3O3/c1-29-23(28)10-4-9-22(27)26(18-20-6-5-13-24-16-20)17-19-11-14-25(15-12-19)21-7-2-3-8-21/h5-6,13,16,19,21H,2-4,7-12,14-15,17-18H2,1H3
InChIKeyQQYZXDOGSDCPGL-UHFFFAOYSA-N
XLogP3.41
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate with MolForge

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 56706021
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 29150071
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
tert-butyl 3-[[butanoyl(pyridin-3-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 126808904
2-methoxy-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-N-(pyridin-4-ylmethyl)acetamide
CID 72928763
N,N-dimethyl-N'-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 42293134
methyl 4-[cyclopropyl(pyridin-3-ylmethyl)sulfamoyl]butanoate
CID 61460740
1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519916

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate?
The IUPAC name of methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate (CID 42518002) is methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate?
The canonical SMILES for methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate is COC(=O)CCCC(=O)N(Cc1cccnc1)CC1CCN(C2CCCC2)CC1.
What is the InChIKey of methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate?
The InChIKey is QQYZXDOGSDCPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-29-23(28)10-4-9-22(27)26(18-20-6-5-13-24-16-20)17-19-11-14-25(15-12-19)21-7-2-3-8-21/h5-6,13,16,19,21H,2-4,7-12,14-15,17-18H2,1H3.
What are the key properties of methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate?
methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate has a molecular weight of 401.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate is sourced from PubChem (CID 42518002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).