1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide

C27H34N4O3 — CID 55779960

IUPAC1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)(c2ccccc2)CC1
InChIInChI=1S/C27H34N4O3/c1-21(32)30-14-12-27(13-15-30,24-6-4-3-5-7-24)26(34)28-20-22-8-10-23(11-9-22)25(33)31-18-16-29(2)17-19-31/h3-11H,12-20H2,1-2H3,(H,28,34)
InChIKeyHQWWZZGLOVKMSS-UHFFFAOYSA-N
MW462.59 g/mol
LogP2.27
Rot. Bonds5

About 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide

1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 55779960) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID55779960
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)(c2ccccc2)CC1
InChIInChI=1S/C27H34N4O3/c1-21(32)30-14-12-27(13-15-30,24-6-4-3-5-7-24)26(34)28-20-22-8-10-23(11-9-22)25(33)31-18-16-29(2)17-19-31/h3-11H,12-20H2,1-2H3,(H,28,34)
InChIKeyHQWWZZGLOVKMSS-UHFFFAOYSA-N
XLogP2.27
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 55714590
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707
5-[[(1-methyl-4-phenylpiperidine-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 90652511
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
N,N-diethyl-4-[[(1-phenylcyclopropanecarbonyl)amino]methyl]benzamide
CID 34833770
5-methyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-1-phenylpyrazole-3-carboxamide
CID 55780170
N-[[4-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]methyl]adamantane-1-carboxamide
CID 78813329
N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
CID 46326816
1-[1-[[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidin-4-yl]ethanone
CID 46162223

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide (CID 55779960) is 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is HQWWZZGLOVKMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3/c1-21(32)30-14-12-27(13-15-30,24-6-4-3-5-7-24)26(34)28-20-22-8-10-23(11-9-22)25(33)31-18-16-29(2)17-19-31/h3-11H,12-20H2,1-2H3,(H,28,34).
What are the key properties of 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide?
1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55779960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).