2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide

C23H28N4O3 — CID 59764355

IUPAC2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCCN1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c24-22(29)19-9-4-5-10-20(19)26-21(28)11-6-14-27-15-12-18(13-16-27)25-23(30)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H2,24,29)(H,25,30)(H,26,28)
InChIKeyJVCPUTFVMTZSAQ-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.40
Rot. Bonds8

About 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide

2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide (PubChem CID 59764355) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide.

Molecular Properties

Compound Name2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide
PubChem CID59764355
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide
SMILESNC(=O)c1ccccc1NC(=O)CCCN1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H28N4O3/c24-22(29)19-9-4-5-10-20(19)26-21(28)11-6-14-27-15-12-18(13-16-27)25-23(30)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H2,24,29)(H,25,30)(H,26,28)
InChIKeyJVCPUTFVMTZSAQ-UHFFFAOYSA-N
XLogP2.40
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-(4-amino-4-oxobutyl)piperidin-4-yl]benzamide;methyl 4-(4-benzamidopiperidin-1-yl)butanoate
CID 21434692
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34791543
2-[4-(2,5-dioxopyrrolidin-1-yl)butanoylamino]benzamide
CID 2219826
ethyl 4-[4-[(2-benzamidobenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39610496
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
1-[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide
CID 8530807
N-[1-[2-(2-nitroanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33102987
2-benzamidobenzamide
CID 702115
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580767

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide?
The IUPAC name of 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide (CID 59764355) is 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide.
What is the SMILES notation for 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide?
The canonical SMILES for 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide is NC(=O)c1ccccc1NC(=O)CCCN1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide?
The InChIKey is JVCPUTFVMTZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c24-22(29)19-9-4-5-10-20(19)26-21(28)11-6-14-27-15-12-18(13-16-27)25-23(30)17-7-2-1-3-8-17/h1-5,7-10,18H,6,11-16H2,(H2,24,29)(H,25,30)(H,26,28).
What are the key properties of 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide?
2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide has a molecular weight of 408.50 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzamidopiperidin-1-yl)butanoylamino]benzamide is sourced from PubChem (CID 59764355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).