1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide

C25H32N4O3 — CID 154852452

IUPAC1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NC3CCC(c4nccc(=O)[nH]4)CC3)C2)c1
InChIInChI=1S/C25H32N4O3/c1-16-12-17(2)14-20(13-16)25(32)29-11-3-4-19(15-29)24(31)27-21-7-5-18(6-8-21)23-26-10-9-22(30)28-23/h9-10,12-14,18-19,21H,3-8,11,15H2,1-2H3,(H,27,31)(H,26,28,30)
InChIKeySXOKCABUFOSHJQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.08
Rot. Bonds4

About 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide (PubChem CID 154852452) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide
PubChem CID154852452
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NC3CCC(c4nccc(=O)[nH]4)CC3)C2)c1
InChIInChI=1S/C25H32N4O3/c1-16-12-17(2)14-20(13-16)25(32)29-11-3-4-19(15-29)24(31)27-21-7-5-18(6-8-21)23-26-10-9-22(30)28-23/h9-10,12-14,18-19,21H,3-8,11,15H2,1-2H3,(H,27,31)(H,26,28,30)
InChIKeySXOKCABUFOSHJQ-UHFFFAOYSA-N
XLogP3.08
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-cyclooctyl-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082784
N-cyclohexyl-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803988
(3R)-N-cyclopentyl-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25392682
(3S)-N-(4-acetamidophenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 94082860
1-(3,5-dimethylbenzoyl)-N-(3-methylbutan-2-yl)piperidine-3-carboxamide
CID 46488810
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(3,5-dimethylbenzoyl)-N-(6-piperidin-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 138996186
1-(3,5-dimethylbenzoyl)-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119500647
N-cyclopropyl-2-[4-[1-(3,5-dimethylbenzoyl)piperidine-3-carbonyl]piperazin-1-yl]acetamide
CID 55789986
1-benzoyl-N-(4-hydroxycyclohexyl)piperidine-3-carboxamide
CID 69258968
4-[(1-benzoylpiperidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229696

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide (CID 154852452) is 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NC3CCC(c4nccc(=O)[nH]4)CC3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide?
The InChIKey is SXOKCABUFOSHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-16-12-17(2)14-20(13-16)25(32)29-11-3-4-19(15-29)24(31)27-21-7-5-18(6-8-21)23-26-10-9-22(30)28-23/h9-10,12-14,18-19,21H,3-8,11,15H2,1-2H3,(H,27,31)(H,26,28,30).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[4-(6-oxo-1H-pyrimidin-2-yl)cyclohexyl]piperidine-3-carboxamide is sourced from PubChem (CID 154852452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).