N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

C21H25N3O3 — CID 113004742

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-6-2-4-16(14-19)7-11-23-20(25)17-8-12-24(13-9-17)21(26)18-5-3-10-22-15-18/h2-6,10,14-15,17H,7-9,11-13H2,1H3,(H,23,25)
InChIKeyZUPPMQORZWTECD-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.30
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide

N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 113004742) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
PubChem CID113004742
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
SMILESCOc1cccc(CCNC(=O)C2CCN(C(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-6-2-4-16(14-19)7-11-23-20(25)17-8-12-24(13-9-17)21(26)18-5-3-10-22-15-18/h2-6,10,14-15,17H,7-9,11-13H2,1H3,(H,23,25)
InChIKeyZUPPMQORZWTECD-UHFFFAOYSA-N
XLogP2.30
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 36982143
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-butyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113002679
1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
1-(3,4-dimethoxybenzoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46412193
N-[2-(3-methoxyphenyl)ethyl]-1-(pyrazine-2-carbonyl)azetidine-3-carboxamide
CID 90510860
1-benzoyl-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110298322
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836658

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide (CID 113004742) is N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is COc1cccc(CCNC(=O)C2CCN(C(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is ZUPPMQORZWTECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-6-2-4-16(14-19)7-11-23-20(25)17-8-12-24(13-9-17)21(26)18-5-3-10-22-15-18/h2-6,10,14-15,17H,7-9,11-13H2,1H3,(H,23,25).
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide?
N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113004742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).