N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

C20H31N3O — CID 56914375

IUPACN-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCCC2CCN2CCCC2)cc1
InChIInChI=1S/C20H31N3O/c1-17-7-9-18(10-8-17)16-21-20(24)23-14-3-2-6-19(23)11-15-22-12-4-5-13-22/h7-10,19H,2-6,11-16H2,1H3,(H,21,24)
InChIKeyAFGXYZCYJBFWJS-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.55
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 56914375) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID56914375
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCCC2CCN2CCCC2)cc1
InChIInChI=1S/C20H31N3O/c1-17-7-9-18(10-8-17)16-21-20(24)23-14-3-2-6-19(23)11-15-22-12-4-5-13-22/h7-10,19H,2-6,11-16H2,1H3,(H,21,24)
InChIKeyAFGXYZCYJBFWJS-UHFFFAOYSA-N
XLogP3.55
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
CID 95728102
(2R)-N-[(4-methylphenyl)methyl]-2-(2-morpholin-4-ylethyl)piperidine-1-carboxamide
CID 95707481
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
(2R)-N-[(3-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126449054
[(2S)-2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 29348390
(2S)-2-(2-hydroxyethyl)-N-[2-(4-methylphenyl)ethyl]piperidine-1-carboxamide
CID 124670162
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
2-[2-(azepan-1-yl)ethyl]-N-[(4-chlorophenyl)methyl]piperidine-1-carbothioamide
CID 134113688
(2R)-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)azepane-1-carboxamide
CID 93076857
2-(aminomethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]piperidine-1-carboxamide
CID 131944572
N-[(4-methylphenyl)methyl]-2-(1-methylpiperidin-2-yl)acetamide
CID 110850894

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (CID 56914375) is N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCCC2CCN2CCCC2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is AFGXYZCYJBFWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-7-9-18(10-8-17)16-21-20(24)23-14-3-2-6-19(23)11-15-22-12-4-5-13-22/h7-10,19H,2-6,11-16H2,1H3,(H,21,24).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 56914375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).