4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

C24H29N3O2 — CID 55478446

IUPAC4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C2CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-17-7-9-18(10-8-17)22(19-11-12-19)26-23(28)20-13-15-27(16-14-20)24(29)25-21-5-3-2-4-6-21/h2-10,19-20,22H,11-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyOOTFMQSKIQIHJR-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.51
Rot. Bonds5

About 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 55478446) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID55478446
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCc1ccc(C(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C2CC2)cc1
InChIInChI=1S/C24H29N3O2/c1-17-7-9-18(10-8-17)22(19-11-12-19)26-23(28)20-13-15-27(16-14-20)24(29)25-21-5-3-2-4-6-21/h2-10,19-20,22H,11-16H2,1H3,(H,25,29)(H,26,28)
InChIKeyOOTFMQSKIQIHJR-UHFFFAOYSA-N
XLogP4.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-(4-methylphenyl)-3-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 47013814
4-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 31370513
tert-butyl 4-[[cyclopropyl-(4-methylphenyl)methyl]carbamoyl]piperidine-1-carboxylate
CID 24625912
4-N-[cyclopropyl(phenyl)methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 47028583
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
4-N-[1-(furan-2-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 47008803
4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
N-[(4-chlorophenyl)-cyclopropylmethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 51187239
4-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26462883
1-acetyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 46571953
4-N-(1-naphthalen-1-ylethyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 42907490
4-N-[cyclopropyl(phenyl)methyl]-1-N-(furan-2-ylmethyl)piperidine-1,4-dicarboxamide
CID 47028581

Frequently Asked Questions

What is the IUPAC name of 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide (CID 55478446) is 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is Cc1ccc(C(NC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)C2CC2)cc1.
What is the InChIKey of 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is OOTFMQSKIQIHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-7-9-18(10-8-17)22(19-11-12-19)26-23(28)20-13-15-27(16-14-20)24(29)25-21-5-3-2-4-6-21/h2-10,19-20,22H,11-16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[cyclopropyl-(4-methylphenyl)methyl]-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55478446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).