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

C25H32N4O2 — CID 55836349

IUPAC1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCC3CCN(c4ccccc4)C3)C2)c1
InChIInChI=1S/C25H32N4O2/c1-19-7-5-9-22(15-19)27-25(31)29-13-6-8-21(18-29)24(30)26-16-20-12-14-28(17-20)23-10-3-2-4-11-23/h2-5,7,9-11,15,20-21H,6,8,12-14,16-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyVKSCHCDYUHSYBW-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.88
Rot. Bonds5

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

1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 55836349) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID55836349
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)NCC3CCN(c4ccccc4)C3)C2)c1
InChIInChI=1S/C25H32N4O2/c1-19-7-5-9-22(15-19)27-25(31)29-13-6-8-21(18-29)24(30)26-16-20-12-14-28(17-20)23-10-3-2-4-11-23/h2-5,7,9-11,15,20-21H,6,8,12-14,16-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyVKSCHCDYUHSYBW-UHFFFAOYSA-N
XLogP3.88
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylphenyl)-3-N-[(1-phenylcyclopentyl)methyl]piperidine-1,3-dicarboxamide
CID 55910670
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-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
ethyl (3R)-3-[[(3R)-1-(3-bromophenyl)pyrrolidin-3-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 97100239
1-N-(3-methylphenyl)-3-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 55820207
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
1-(4-fluorobenzoyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 46403336
3-N-benzyl-3-N-cyclopropyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55820118
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide (CID 55836349) is 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)NCC3CCN(c4ccccc4)C3)C2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is VKSCHCDYUHSYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-7-5-9-22(15-19)27-25(31)29-13-6-8-21(18-29)24(30)26-16-20-12-14-28(17-20)23-10-3-2-4-11-23/h2-5,7,9-11,15,20-21H,6,8,12-14,16-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide?
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55836349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).