N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide

C23H29N3O2 — CID 1065967

IUPACN-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
SMILESCC(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c1-17(2)22(27)25-19-11-12-21(26-13-7-4-8-14-26)20(15-19)23(28)24-16-18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyVTQFMNXHEZXYPK-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.20
Rot. Bonds6

About N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide

N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide (PubChem CID 1065967) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
PubChem CID1065967
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide
SMILESCC(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1
InChIInChI=1S/C23H29N3O2/c1-17(2)22(27)25-19-11-12-21(26-13-7-4-8-14-26)20(15-19)23(28)24-16-18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyVTQFMNXHEZXYPK-UHFFFAOYSA-N
XLogP4.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 4687386
2-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-5-(2-methylpropanoylamino)benzamide
CID 4587534
N-benzyl-5-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-piperidin-1-ylbenzamide
CID 5038108
N-benzyl-5-[(4-phenylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3443587
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
N-[3-(benzylcarbamoyl)-4-piperidin-1-ylphenyl]naphthalene-1-carboxamide
CID 42756994
N-benzyl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1065996
N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066972
N-benzyl-5-[[(2R)-2-chloropropanoyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 1064769
5-(benzylcarbamoylamino)-N-[(2S)-butan-2-yl]-2-pyrrolidin-1-ylbenzamide
CID 1065281
N-benzyl-5-[(2,3-dichlorophenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 42661807
N-benzyl-5-[(4-bromobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 42753268

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide?
The IUPAC name of N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide (CID 1065967) is N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide is CC(C)C(=O)Nc1ccc(N2CCCCC2)c(C(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide?
The InChIKey is VTQFMNXHEZXYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17(2)22(27)25-19-11-12-21(26-13-7-4-8-14-26)20(15-19)23(28)24-16-18-9-5-3-6-10-18/h3,5-6,9-12,15,17H,4,7-8,13-14,16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide?
N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(2-methylpropanoylamino)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 1065967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).