1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide

C26H33N3O2 — CID 55910670

IUPAC1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCC3(c4ccccc4)CCCC3)C2)c1
InChIInChI=1S/C26H33N3O2/c1-20-9-7-13-23(17-20)28-25(31)29-16-8-10-21(18-29)24(30)27-19-26(14-5-6-15-26)22-11-3-2-4-12-22/h2-4,7,9,11-13,17,21H,5-6,8,10,14-16,18-19H2,1H3,(H,27,30)(H,28,31)
InChIKeyGEKXFETWOZRQIL-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.87
Rot. Bonds5

About 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide

1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 55910670) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID55910670
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Name1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCC3(c4ccccc4)CCCC3)C2)c1
InChIInChI=1S/C26H33N3O2/c1-20-9-7-13-23(17-20)28-25(31)29-16-8-10-21(18-29)24(30)27-19-26(14-5-6-15-26)22-11-3-2-4-12-22/h2-4,7,9,11-13,17,21H,5-6,8,10,14-16,18-19H2,1H3,(H,27,30)(H,28,31)
InChIKeyGEKXFETWOZRQIL-UHFFFAOYSA-N
XLogP4.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
1-(3-methylphenyl)-3-[(1-phenylcyclohexyl)methyl]urea
CID 14977495
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 55836349
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide (CID 55910670) is 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NCC3(c4ccccc4)CCCC3)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is GEKXFETWOZRQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-20-9-7-13-23(17-20)28-25(31)29-16-8-10-21(18-29)24(30)27-19-26(14-5-6-15-26)22-11-3-2-4-12-22/h2-4,7,9,11-13,17,21H,5-6,8,10,14-16,18-19H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide?
1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55910670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).