(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide

C25H32N4O2 — CID 51962441

IUPAC(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCC4)cc3C)C2)c1
InChIInChI=1S/C25H32N4O2/c1-18-7-5-9-21(15-18)26-25(31)29-14-6-8-20(17-29)24(30)27-23-11-10-22(16-19(23)2)28-12-3-4-13-28/h5,7,9-11,15-16,20H,3-4,6,8,12-14,17H2,1-2H3,(H,26,31)(H,27,30)/t20-/m1/s1
InChIKeyHPAJECCWNNSMHA-HXUWFJFHSA-N
MW420.56 g/mol
LogP4.79
Rot. Bonds4

About (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide

(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 51962441) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
PubChem CID51962441
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCC4)cc3C)C2)c1
InChIInChI=1S/C25H32N4O2/c1-18-7-5-9-21(15-18)26-25(31)29-14-6-8-20(17-29)24(30)27-23-11-10-22(16-19(23)2)28-12-3-4-13-28/h5,7,9-11,15-16,20H,3-4,6,8,12-14,17H2,1-2H3,(H,26,31)(H,27,30)/t20-/m1/s1
InChIKeyHPAJECCWNNSMHA-HXUWFJFHSA-N
XLogP4.79
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
1-[1-[(3-methylphenyl)carbamoyl]piperidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119355069
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
1-N-(3-methylphenyl)-3-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1,3-dicarboxamide
CID 55836349

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide (CID 51962441) is (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccc(N4CCCC4)cc3C)C2)c1.
What is the InChIKey of (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is HPAJECCWNNSMHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-7-5-9-21(15-18)26-25(31)29-14-6-8-20(17-29)24(30)27-23-11-10-22(16-19(23)2)28-12-3-4-13-28/h5,7,9-11,15-16,20H,3-4,6,8,12-14,17H2,1-2H3,(H,26,31)(H,27,30)/t20-/m1/s1.
What are the key properties of (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide?
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51962441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).