1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

C22H36N4O — CID 70380203

IUPAC1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(C)C)CCN(C2CCCCC2N)CC1
InChIInChI=1S/C22H36N4O/c1-16-8-7-9-17(2)20(16)24-21(27)22(25(3)4)12-14-26(15-13-22)19-11-6-5-10-18(19)23/h7-9,18-19H,5-6,10-15,23H2,1-4H3,(H,24,27)
InChIKeyZEGSBXSACJKZEX-UHFFFAOYSA-N
MW372.56 g/mol
LogP2.91
Rot. Bonds4

About 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide

1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (PubChem CID 70380203) has the molecular formula C22H36N4O and a molecular weight of 372.56 g/mol. Its IUPAC name is 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
PubChem CID70380203
Molecular FormulaC22H36N4O
Molecular Weight372.56 g/mol
Exact Mass372.29
IUPAC Name1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(N(C)C)CCN(C2CCCCC2N)CC1
InChIInChI=1S/C22H36N4O/c1-16-8-7-9-17(2)20(16)24-21(27)22(25(3)4)12-14-26(15-13-22)19-11-6-5-10-18(19)23/h7-9,18-19H,5-6,10-15,23H2,1-4H3,(H,24,27)
InChIKeyZEGSBXSACJKZEX-UHFFFAOYSA-N
XLogP2.91
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-acetamidocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380107
1-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380293
benzyl 4-[(2-chloro-6-methylphenyl)carbamoyl]-4-(dimethylamino)piperidine-1-carboxylate
CID 70380131
1-[acetyl(methyl)amino]-N-(2,6-dimethylphenyl)cyclohexane-1-carboxamide
CID 830885
1-[3,3-bis(benzylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 88621114
1-[3-(diethylamino)-2-hydroxypropyl]-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide
CID 70380055
4-[cyclopentyl(methyl)amino]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
CID 4119386
ethyl 4-[acetyl(benzyl)amino]-4-[(2,6-dimethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 70380170
4-[cycloheptyl(methyl)amino]-N-(2,6-dimethylphenyl)piperidine-1-carbothioamide
CID 4668355
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide (CID 70380203) is 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is Cc1cccc(C)c1NC(=O)C1(N(C)C)CCN(C2CCCCC2N)CC1.
What is the InChIKey of 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
The InChIKey is ZEGSBXSACJKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N4O/c1-16-8-7-9-17(2)20(16)24-21(27)22(25(3)4)12-14-26(15-13-22)19-11-6-5-10-18(19)23/h7-9,18-19H,5-6,10-15,23H2,1-4H3,(H,24,27).
What are the key properties of 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide?
1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminocyclohexyl)-4-(dimethylamino)-N-(2,6-dimethylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 70380203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).