N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C24H29N3O — CID 173204088

IUPACN-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCCCC#Cc1ccc(CNC(=O)C2CCCCN2Cc2ccncc2)cc1
InChIInChI=1S/C24H29N3O/c1-2-3-4-7-20-9-11-21(12-10-20)18-26-24(28)23-8-5-6-17-27(23)19-22-13-15-25-16-14-22/h9-16,23H,2-3,5-6,8,17-19H2,1H3,(H,26,28)
InChIKeyAFOILZOEZNHDJL-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.90
Rot. Bonds6

About N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide

N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 173204088) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID173204088
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCCCC#Cc1ccc(CNC(=O)C2CCCCN2Cc2ccncc2)cc1
InChIInChI=1S/C24H29N3O/c1-2-3-4-7-20-9-11-21(12-10-20)18-26-24(28)23-8-5-6-17-27(23)19-22-13-15-25-16-14-22/h9-16,23H,2-3,5-6,8,17-19H2,1H3,(H,26,28)
InChIKeyAFOILZOEZNHDJL-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
1-(pyridin-4-ylmethyl)azepane-2-carboxylic acid
CID 64562578
N-[(4-cyanophenyl)methyl]-1-(3-methylbutyl)piperidine-2-carboxamide
CID 173154239
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
N-benzyl-1-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]piperidine-2-carboxamide
CID 134801433
N-(2-hydroxy-5-methylphenyl)-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 56782588
(2R)-1-(pyridin-4-ylmethyl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]piperidine-2-carboxamide
CID 95760097
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235
(2R)-1-[(4-fluorophenyl)methyl]-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 95786833
3-[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 54969684
(2R)-N-[3-(methoxymethyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 95308116

Frequently Asked Questions

What is the IUPAC name of N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 173204088) is N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is CCCC#Cc1ccc(CNC(=O)C2CCCCN2Cc2ccncc2)cc1.
What is the InChIKey of N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is AFOILZOEZNHDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-3-4-7-20-9-11-21(12-10-20)18-26-24(28)23-8-5-6-17-27(23)19-22-13-15-25-16-14-22/h9-16,23H,2-3,5-6,8,17-19H2,1H3,(H,26,28).
What are the key properties of N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pent-1-ynylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 173204088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).