N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide

C23H27N3O3 — CID 34423868

IUPACN-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c27-21(12-7-15-24-22(28)18-8-3-1-4-9-18)26-16-13-20(14-17-26)25-23(29)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,24,28)(H,25,29)
InChIKeyMHSJRJBPUVKJNW-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.62
Rot. Bonds7

About N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide

N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide (PubChem CID 34423868) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
PubChem CID34423868
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide
SMILESO=C(NCCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C23H27N3O3/c27-21(12-7-15-24-22(28)18-8-3-1-4-9-18)26-16-13-20(14-17-26)25-23(29)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,24,28)(H,25,29)
InChIKeyMHSJRJBPUVKJNW-UHFFFAOYSA-N
XLogP2.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]benzamide
CID 111561014
N-[1-[4-[(4-chlorobenzoyl)amino]butanoyl]piperidin-4-yl]-2-methylbenzamide
CID 39512458
N-[4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119487124
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
CID 46463757
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
4-chloro-N-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzamide
CID 39582079
N-[1-[4-(4-chlorophenyl)sulfanylbutanoyl]piperidin-4-yl]benzamide
CID 24575407
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]benzamide
CID 119418551
N-[2-[[1-(3-chloropropanoyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 108559770
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide?
The IUPAC name of N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide (CID 34423868) is N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide is O=C(NCCCC(=O)N1CCC(NC(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide?
The InChIKey is MHSJRJBPUVKJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21(12-7-15-24-22(28)18-8-3-1-4-9-18)26-16-13-20(14-17-26)25-23(29)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,24,28)(H,25,29).
What are the key properties of N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide?
N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide has a molecular weight of 393.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzamidopiperidin-1-yl)-4-oxobutyl]benzamide is sourced from PubChem (CID 34423868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).