1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

C27H37N3O2 — CID 56526502

IUPAC1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H37N3O2/c1-20(2)21(3)28-27(32)24-14-17-30(18-15-24)19-16-25(31)29-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24,26H,14-19H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyJXLXUAFVZMKSSC-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.16
Rot. Bonds9

About 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide

1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (PubChem CID 56526502) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
PubChem CID56526502
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
SMILESCC(C)C(C)NC(=O)C1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C27H37N3O2/c1-20(2)21(3)28-27(32)24-14-17-30(18-15-24)19-16-25(31)29-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24,26H,14-19H2,1-3H3,(H,28,32)(H,29,31)
InChIKeyJXLXUAFVZMKSSC-UHFFFAOYSA-N
XLogP4.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(benzhydrylamino)-3-oxopropyl]piperidine-4-carboxylic acid;hydrochloride
CID 119908286
1-[3-(2,5-dichloroanilino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 56526511
1-[(2S)-2-methoxy-2-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 124847702
N-benzhydryl-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427342
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
3-(4-hydroxypiperidin-1-yl)-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 110882838
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide
CID 56525511
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide (CID 56526502) is 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is CC(C)C(C)NC(=O)C1CCN(CCC(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
The InChIKey is JXLXUAFVZMKSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-20(2)21(3)28-27(32)24-14-17-30(18-15-24)19-16-25(31)29-26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,24,26H,14-19H2,1-3H3,(H,28,32)(H,29,31).
What are the key properties of 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide?
1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide has a molecular weight of 435.61 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzhydrylamino)-3-oxopropyl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 56526502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).