3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride

C19H31Cl2N3O — CID 119889661

IUPAC3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCCC(N)C1)C1CCCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)15-7-5-8-16(20)13-15)18-11-6-12-22(14-18)17-9-3-2-4-10-17;;/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3;2*1H
InChIKeyJOZBWMJOGHZQQO-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.47
Rot. Bonds3

About 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride

3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119889661) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119889661
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC Name3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(C(=O)C1CCCC(N)C1)C1CCCN(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-21(19(23)15-7-5-8-16(20)13-15)18-11-6-12-22(14-18)17-9-3-2-4-10-17;;/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3;2*1H
InChIKeyJOZBWMJOGHZQQO-UHFFFAOYSA-N
XLogP3.47
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide
CID 119889662
N-methyl-N-(1-phenylpiperidin-3-yl)pyrrolidine-3-carboxamide
CID 119889712
3-amino-N-cyclopentyl-N-methylcyclohexane-1-carboxamide;hydrochloride
CID 119696948
N-[(2R)-1-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
CID 97061605
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
3-amino-N-methyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119868587
(3-aminocyclohexyl)-(4-phenyl-1,4-diazepan-1-yl)methanone;dihydrochloride
CID 119860777
3-ethyl-1-methyl-1-(1-phenylpiperidin-3-yl)urea
CID 136526166
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 119900588
N-methyl-N-[(3R)-1-pyridin-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 124952652
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 115161473

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride (CID 119889661) is 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride is CN(C(=O)C1CCCC(N)C1)C1CCCN(c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is JOZBWMJOGHZQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-21(19(23)15-7-5-8-16(20)13-15)18-11-6-12-22(14-18)17-9-3-2-4-10-17;;/h2-4,9-10,15-16,18H,5-8,11-14,20H2,1H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride?
3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-phenylpiperidin-3-yl)cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119889661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).