1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

C30H44N4O — CID 70380293

IUPAC1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(C)C)CCN([C@@H]2CCCC[C@H]2N(C)Cc2ccccc2)CC1
InChIInChI=1S/C30H44N4O/c1-23-12-11-13-24(2)28(23)31-29(35)30(32(3)4)18-20-34(21-19-30)27-17-10-9-16-26(27)33(5)22-25-14-7-6-8-15-25/h6-8,11-15,26-27H,9-10,16-22H2,1-5H3,(H,31,35)/t26-,27-/m1/s1
InChIKeyXDZYZPGKWYBBQB-KAYWLYCHSA-N
MW476.71 g/mol
LogP5.08
Rot. Bonds7

About 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 70380293) has the molecular formula C30H44N4O and a molecular weight of 476.71 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
PubChem CID70380293
Molecular FormulaC30H44N4O
Molecular Weight476.71 g/mol
Exact Mass476.35
IUPAC Name1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(C)C)CCN([C@@H]2CCCC[C@H]2N(C)Cc2ccccc2)CC1
InChIInChI=1S/C30H44N4O/c1-23-12-11-13-24(2)28(23)31-29(35)30(32(3)4)18-20-34(21-19-30)27-17-10-9-16-26(27)33(5)22-25-14-7-6-8-15-25/h6-8,11-15,26-27H,9-10,16-22H2,1-5H3,(H,31,35)/t26-,27-/m1/s1
InChIKeyXDZYZPGKWYBBQB-KAYWLYCHSA-N
XLogP5.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide with MolForge

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Related Compounds

acetic acid;4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-[(1R,2R)-2-hydroxycyclohexyl]piperidine-4-carboxamide
CID 70380121
acetic acid;4-(dimethylamino)-N-(2,6-dimethylphenyl)-1-(2-hydroxycyclohexyl)piperidine-4-carboxamide
CID 70380108
1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380203
1-(2-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380107
1-[3,3-bis(benzylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 88621114
benzyl 4-[(2-chloro-6-methylphenyl)carbamoyl]-4-(dimethylamino)piperidine-1-carboxylate
CID 70380131
4-[benzyl(ethyl)amino]-N-(2,6-dimethylphenyl)-1-propan-2-ylpiperidine-4-carboxamide
CID 70380263
ethyl 4-[acetyl(benzyl)amino]-4-[(2,6-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 70380170
1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380055
N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
4-N-benzyl-1-N-(2,6-dimethylphenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109148309
2-[4-[[benzyl(methyl)amino]methyl]piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56509640

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (CID 70380293) is 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is Cc1cccc(C)c1NC(=O)C1(N(C)C)CCN([C@@H]2CCCC[C@H]2N(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is XDZYZPGKWYBBQB-KAYWLYCHSA-N. The full InChI is InChI=1S/C30H44N4O/c1-23-12-11-13-24(2)28(23)31-29(35)30(32(3)4)18-20-34(21-19-30)27-17-10-9-16-26(27)33(5)22-25-14-7-6-8-15-25/h6-8,11-15,26-27H,9-10,16-22H2,1-5H3,(H,31,35)/t26-,27-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 476.71 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 70380293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).