N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

C26H31N3O3 — CID 55469591

IUPACN-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C26H31N3O3/c1-19(30)22-10-7-11-23(18-22)27-25(31)24(20-8-3-2-4-9-20)28-16-12-21(13-17-28)26(32)29-14-5-6-15-29/h2-4,7-11,18,21,24H,5-6,12-17H2,1H3,(H,27,31)
InChIKeyCHKFHSRILQAZOC-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.90
Rot. Bonds6

About N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide

N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (PubChem CID 55469591) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
PubChem CID55469591
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCC(C(=O)N3CCCC3)CC2)c1
InChIInChI=1S/C26H31N3O3/c1-19(30)22-10-7-11-23(18-22)27-25(31)24(20-8-3-2-4-9-20)28-16-12-21(13-17-28)26(32)29-14-5-6-15-29/h2-4,7-11,18,21,24H,5-6,12-17H2,1H3,(H,27,31)
InChIKeyCHKFHSRILQAZOC-UHFFFAOYSA-N
XLogP3.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenylacetamide
CID 55351073
tert-butyl N-[1-[2-(3-acetylanilino)-2-oxo-1-phenylethyl]piperidin-4-yl]carbamate
CID 55842021
1-(2-anilino-2-oxo-1-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 119907322
1-[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-N-phenylpiperidine-4-carboxamide
CID 41183176
N-(3-acetylphenyl)-2-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 55841686
(2S)-N-(3-acetylphenyl)-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 30172697
(2S)-N-(3-acetylphenyl)-2-(cyclopentylamino)-2-phenylacetamide
CID 40624932
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
1-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]-N-phenylpiperidine-4-carboxamide
CID 9134665
N,N-diethyl-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide
CID 55469592
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide (CID 55469591) is N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)C(c2ccccc2)N2CCC(C(=O)N3CCCC3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
The InChIKey is CHKFHSRILQAZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19(30)22-10-7-11-23(18-22)27-25(31)24(20-8-3-2-4-9-20)28-16-12-21(13-17-28)26(32)29-14-5-6-15-29/h2-4,7-11,18,21,24H,5-6,12-17H2,1H3,(H,27,31).
What are the key properties of N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 55469591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).