1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide

C25H33N5O2 — CID 86964133

IUPAC1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)NC3CCN(c4cccc(C)n4)CC3)CC2)c1
InChIInChI=1S/C25H33N5O2/c1-18-5-3-7-22(17-18)28-25(32)30-13-9-20(10-14-30)24(31)27-21-11-15-29(16-12-21)23-8-4-6-19(2)26-23/h3-8,17,20-21H,9-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyGMXQPVJAQKCYSH-UHFFFAOYSA-N
MW435.57 g/mol
LogP3.73
Rot. Bonds4

About 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide

1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide (PubChem CID 86964133) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
PubChem CID86964133
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC(C(=O)NC3CCN(c4cccc(C)n4)CC3)CC2)c1
InChIInChI=1S/C25H33N5O2/c1-18-5-3-7-22(17-18)28-25(32)30-13-9-20(10-14-30)24(31)27-21-11-15-29(16-12-21)23-8-4-6-19(2)26-23/h3-8,17,20-21H,9-16H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyGMXQPVJAQKCYSH-UHFFFAOYSA-N
XLogP3.73
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
N-(3-acetylphenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 24792518
methyl 3-[[4-(6-methyl-2-pyridinyl)piperazine-1-carbonyl]amino]benzoate
CID 3676674
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
N-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313483
6-[4-(3-methylanilino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 122053938
N-(2,5-dimethylphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 3680055
1-N-cyclohexyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146142

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide (CID 86964133) is 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide is Cc1cccc(NC(=O)N2CCC(C(=O)NC3CCN(c4cccc(C)n4)CC3)CC2)c1.
What is the InChIKey of 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
The InChIKey is GMXQPVJAQKCYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-18-5-3-7-22(17-18)28-25(32)30-13-9-20(10-14-30)24(31)27-21-11-15-29(16-12-21)23-8-4-6-19(2)26-23/h3-8,17,20-21H,9-16H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide?
1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methylphenyl)-4-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 86964133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).