1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

C22H27N3O2 — CID 110083470

IUPAC1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(Cc2ccccc2-c2ccncc2)(C(N)=O)CC1
InChIInChI=1S/C22H27N3O2/c1-2-5-20(26)25-14-10-22(11-15-25,21(23)27)16-18-6-3-4-7-19(18)17-8-12-24-13-9-17/h3-4,6-9,12-13H,2,5,10-11,14-16H2,1H3,(H2,23,27)
InChIKeyTXYBJLOJAYGHQH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.19
Rot. Bonds6

About 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide

1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083470) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID110083470
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(Cc2ccccc2-c2ccncc2)(C(N)=O)CC1
InChIInChI=1S/C22H27N3O2/c1-2-5-20(26)25-14-10-22(11-15-25,21(23)27)16-18-6-3-4-7-19(18)17-8-12-24-13-9-17/h3-4,6-9,12-13H,2,5,10-11,14-16H2,1H3,(H2,23,27)
InChIKeyTXYBJLOJAYGHQH-UHFFFAOYSA-N
XLogP3.19
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxyacetyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 129360841
1-(3-fluorobenzoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 92620740
N-methyl-1-(3-phenylpropanoyl)-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805527
(3R)-1-[2-(4-methoxyphenyl)acetyl]-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92595440
(3R)-1-butanoyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586217
(3R)-3-[(2-pyridin-4-ylphenyl)methyl]-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 92596157
(3S)-3-[(2-phenylphenyl)methyl]-1-(3-pyrazol-1-ylpropanoyl)pyrrolidine-3-carboxamide
CID 92575779
(3S)-1-butanoyl-N-methyl-3-[(2-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92586242
(3S)-N-methyl-1-(3-phenylpropanoyl)-3-[(2-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609735
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
1-(cyclopropanecarbonyl)-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805550
1-(cyclopropanecarbonyl)-N-ethyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083448

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083470) is 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(Cc2ccccc2-c2ccncc2)(C(N)=O)CC1.
What is the InChIKey of 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is TXYBJLOJAYGHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-5-20(26)25-14-10-22(11-15-25,21(23)27)16-18-6-3-4-7-19(18)17-8-12-24-13-9-17/h3-4,6-9,12-13H,2,5,10-11,14-16H2,1H3,(H2,23,27).
What are the key properties of 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide?
1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-4-[(2-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).