N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C29H35N3O3 — CID 46410310

IUPACN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C2CC2)cc1
InChIInChI=1S/C29H35N3O3/c33-27(15-8-21-4-2-1-3-5-21)31-18-16-24(17-19-31)29(35)32(26-13-14-26)20-22-6-9-23(10-7-22)28(34)30-25-11-12-25/h1-7,9-10,24-26H,8,11-20H2,(H,30,34)
InChIKeyJDGAUMUSJKUGCZ-UHFFFAOYSA-N
MW473.62 g/mol
LogP3.94
Rot. Bonds9

About N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 46410310) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID46410310
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESO=C(NC1CC1)c1ccc(CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C2CC2)cc1
InChIInChI=1S/C29H35N3O3/c33-27(15-8-21-4-2-1-3-5-21)31-18-16-24(17-19-31)29(35)32(26-13-14-26)20-22-6-9-23(10-7-22)28(34)30-25-11-12-25/h1-7,9-10,24-26H,8,11-20H2,(H,30,34)
InChIKeyJDGAUMUSJKUGCZ-UHFFFAOYSA-N
XLogP3.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120563140
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 51071042
N-cyclopropyl-1-(furan-2-carbonyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 33354399
N-[4-[benzyl-(4-methoxybenzoyl)amino]cyclohexyl]-1-(3-chloropropanoyl)piperidine-4-carboxamide
CID 46105732
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
N-cyclopropyl-4-[[cyclopropyl(3-phenylbutanoyl)amino]methyl]benzamide
CID 134062285
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
1-(2-bromophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46598416
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 46410310) is N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is O=C(NC1CC1)c1ccc(CN(C(=O)C2CCN(C(=O)CCc3ccccc3)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is JDGAUMUSJKUGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c33-27(15-8-21-4-2-1-3-5-21)31-18-16-24(17-19-31)29(35)32(26-13-14-26)20-22-6-9-23(10-7-22)28(34)30-25-11-12-25/h1-7,9-10,24-26H,8,11-20H2,(H,30,34).
What are the key properties of N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 46410310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).