1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide

C21H31N3O3 — CID 7435228

IUPAC1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-15-5-3-4-6-19(15)23-20(25)16-11-13-24(14-12-16)21(26)22-17-7-9-18(27-2)10-8-17/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,26)(H,23,25)/t15-,19-/m1/s1
InChIKeyAHZVMWOPTHMXIE-DNVCBOLYSA-N
MW373.50 g/mol
LogP3.63
Rot. Bonds4

About 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide

1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide (PubChem CID 7435228) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide
PubChem CID7435228
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-15-5-3-4-6-19(15)23-20(25)16-11-13-24(14-12-16)21(26)22-17-7-9-18(27-2)10-8-17/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,26)(H,23,25)/t15-,19-/m1/s1
InChIKeyAHZVMWOPTHMXIE-DNVCBOLYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

4-N-cyclohexyl-1-N-(4-methoxyphenyl)piperidine-1,4-dicarboxamide
CID 6486998
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077
1-(4-methoxyphenyl)-3-[(1S,2R)-2-methylcyclohexyl]thiourea
CID 8616277
1-[[4-(4-methoxyphenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122079306
N-(4-iodophenyl)-4-(4-methoxybenzoyl)piperidine-1-carboxamide
CID 112824394
N-(4-methoxyphenyl)-4-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 53057839
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide (CID 7435228) is 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide is COc1ccc(NC(=O)N2CCC(C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1.
What is the InChIKey of 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide?
The InChIKey is AHZVMWOPTHMXIE-DNVCBOLYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-15-5-3-4-6-19(15)23-20(25)16-11-13-24(14-12-16)21(26)22-17-7-9-18(27-2)10-8-17/h7-10,15-16,19H,3-6,11-14H2,1-2H3,(H,22,26)(H,23,25)/t15-,19-/m1/s1.
What are the key properties of 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide?
1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide has a molecular weight of 373.50 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxyphenyl)-4-N-[(1R,2R)-2-methylcyclohexyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 7435228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).