4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide

C27H33N3O3 — CID 110262588

IUPAC4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide
SMILESCC(=O)N1CCCC(c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C27H33N3O3/c1-20(31)30-15-7-11-23(19-30)24-12-6-5-10-22(24)18-27(26(28)33)13-16-29(17-14-27)25(32)21-8-3-2-4-9-21/h2-6,8-10,12,23H,7,11,13-19H2,1H3,(H2,28,33)
InChIKeyUTMHXFPOLYAHRU-UHFFFAOYSA-N
MW447.58 g/mol
LogP3.36
Rot. Bonds5

About 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide

4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide (PubChem CID 110262588) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide
PubChem CID110262588
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide
SMILESCC(=O)N1CCCC(c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccc3)CC2)C1
InChIInChI=1S/C27H33N3O3/c1-20(31)30-15-7-11-23(19-30)24-12-6-5-10-22(24)18-27(26(28)33)13-16-29(17-14-27)25(32)21-8-3-2-4-9-21/h2-6,8-10,12,23H,7,11,13-19H2,1H3,(H2,28,33)
InChIKeyUTMHXFPOLYAHRU-UHFFFAOYSA-N
XLogP3.36
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 110262581
4-[[2-[(3R)-1-acetylpiperidin-3-yl]phenyl]methyl]-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 95832530
1-benzoyl-4-[[2-(2-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
CID 129456727
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
(3R)-1-benzoyl-3-[[2-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 92561151
(5-hydroxyazocan-1-yl)-phenylmethanone
CID 165346872
1-benzoyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110243797
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
2-(1-aminocyclobutyl)-1-(4-benzoyl-1,4-diazepan-1-yl)ethanone;hydrochloride
CID 75495951
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
1-[4-[(2-fluorophenyl)methyl]-4-[(3S)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124985154

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide?
The IUPAC name of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide (CID 110262588) is 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide.
What is the SMILES notation for 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide?
The canonical SMILES for 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide is CC(=O)N1CCCC(c2ccccc2CC2(C(N)=O)CCN(C(=O)c3ccccc3)CC2)C1.
What is the InChIKey of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide?
The InChIKey is UTMHXFPOLYAHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-20(31)30-15-7-11-23(19-30)24-12-6-5-10-22(24)18-27(26(28)33)13-16-29(17-14-27)25(32)21-8-3-2-4-9-21/h2-6,8-10,12,23H,7,11,13-19H2,1H3,(H2,28,33).
What are the key properties of 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide?
4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-acetylpiperidin-3-yl)phenyl]methyl]-1-benzoylpiperidine-4-carboxamide is sourced from PubChem (CID 110262588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).