N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide

C26H35N3O — CID 56706021

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cccc(CC(=O)N(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C26H35N3O/c1-21-6-4-7-23(16-21)17-26(30)29(20-24-8-5-13-27-18-24)19-22-11-14-28(15-12-22)25-9-2-3-10-25/h4-8,13,16,18,22,25H,2-3,9-12,14-15,17,19-20H2,1H3
InChIKeyLFJNWUFOQMBJHL-UHFFFAOYSA-N
MW405.59 g/mol
LogP4.62
Rot. Bonds7

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 56706021) has the molecular formula C26H35N3O and a molecular weight of 405.59 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID56706021
Molecular FormulaC26H35N3O
Molecular Weight405.59 g/mol
Exact Mass405.28
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCc1cccc(CC(=O)N(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C26H35N3O/c1-21-6-4-7-23(16-21)17-26(30)29(20-24-8-5-13-27-18-24)19-22-11-14-28(15-12-22)25-9-2-3-10-25/h4-8,13,16,18,22,25H,2-3,9-12,14-15,17,19-20H2,1H3
InChIKeyLFJNWUFOQMBJHL-UHFFFAOYSA-N
XLogP4.62
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.59
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-pyrazol-1-yl-N-(pyridin-3-ylmethyl)acetamide
CID 56854235
methyl 5-[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]-5-oxopentanoate
CID 42518002
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 29150071
N-ethyl-2-(3-methylphenyl)-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 28956164
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)oxolane-3-carboxamide
CID 45215267
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
N-[[(3S)-1-cyclohexylpiperidin-3-yl]methyl]-2-(2-oxopiperidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 42293272
1-(1-cyclopentylpiperidin-4-yl)-N-[(6-methyl-2-pyridinyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519916
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
N,N-dimethyl-N'-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 42293134
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopentene-1-carboxamide
CID 42592854

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide (CID 56706021) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide is Cc1cccc(CC(=O)N(Cc2cccnc2)CC2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is LFJNWUFOQMBJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O/c1-21-6-4-7-23(16-21)17-26(30)29(20-24-8-5-13-27-18-24)19-22-11-14-28(15-12-22)25-9-2-3-10-25/h4-8,13,16,18,22,25H,2-3,9-12,14-15,17,19-20H2,1H3.
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 405.59 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-2-(3-methylphenyl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 56706021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).