N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide

C31H34N2O3 — CID 10005478

IUPACN-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
SMILESCCCC(=O)C1(c2ccccc2)CCN(C(=O)CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H34N2O3/c1-2-9-28(34)31(27-12-7-4-8-13-27)19-22-33(23-20-31)29(35)18-21-32-30(36)26-16-14-25(15-17-26)24-10-5-3-6-11-24/h3-8,10-17H,2,9,18-23H2,1H3,(H,32,36)
InChIKeyVOTGZWYUTIDMCC-UHFFFAOYSA-N
MW482.62 g/mol
LogP5.40
Rot. Bonds9

About N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide

N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide (PubChem CID 10005478) has the molecular formula C31H34N2O3 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
PubChem CID10005478
Molecular FormulaC31H34N2O3
Molecular Weight482.62 g/mol
Exact Mass482.26
IUPAC NameN-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide
SMILESCCCC(=O)C1(c2ccccc2)CCN(C(=O)CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H34N2O3/c1-2-9-28(34)31(27-12-7-4-8-13-27)19-22-33(23-20-31)29(35)18-21-32-30(36)26-16-14-25(15-17-26)24-10-5-3-6-11-24/h3-8,10-17H,2,9,18-23H2,1H3,(H,32,36)
InChIKeyVOTGZWYUTIDMCC-UHFFFAOYSA-N
XLogP5.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-(1-hydroxy-4-phenylpiperidin-4-yl)butan-1-one
CID 91605385
1-[5-oxo-5-(propylamino)pentanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168339
4-benzoyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157014
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-butyl-4-phenylbenzamide
CID 3637649
N-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-4-methylbenzamide
CID 2977263
4-methyl-N-[3-(2-methyl-3-oxo-2,8-diazaspiro[4.5]decan-8-yl)-3-oxopropyl]benzamide
CID 70788911
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732
1-[4-phenyl-4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 22241002
N-[2-(4-acetyl-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)benzamide
CID 10432288

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide?
The IUPAC name of N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide (CID 10005478) is N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide is CCCC(=O)C1(c2ccccc2)CCN(C(=O)CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide?
The InChIKey is VOTGZWYUTIDMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O3/c1-2-9-28(34)31(27-12-7-4-8-13-27)19-22-33(23-20-31)29(35)18-21-32-30(36)26-16-14-25(15-17-26)24-10-5-3-6-11-24/h3-8,10-17H,2,9,18-23H2,1H3,(H,32,36).
What are the key properties of N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide?
N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide has a molecular weight of 482.62 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-butanoyl-4-phenylpiperidin-1-yl)-3-oxopropyl]-4-phenylbenzamide is sourced from PubChem (CID 10005478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).