N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride

C17H35Cl2N3O — CID 119946772

IUPACN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)C2(C)CCCNC2)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-14-7-5-9-17(11-14,20(3)4)13-19-15(21)16(2)8-6-10-18-12-16;;/h14,18H,5-13H2,1-4H3,(H,19,21);2*1H
InChIKeyJGVVADQTMNFUJI-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.85
Rot. Bonds4

About N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride (PubChem CID 119946772) has the molecular formula C17H35Cl2N3O and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
PubChem CID119946772
Molecular FormulaC17H35Cl2N3O
Molecular Weight368.39 g/mol
Exact Mass367.22
IUPAC NameN-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride
SMILESCC1CCCC(CNC(=O)C2(C)CCCNC2)(N(C)C)C1.Cl.Cl
InChIInChI=1S/C17H33N3O.2ClH/c1-14-7-5-9-17(11-14,20(3)4)13-19-15(21)16(2)8-6-10-18-12-16;;/h14,18H,5-13H2,1-4H3,(H,19,21);2*1H
InChIKeyJGVVADQTMNFUJI-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120645153
1-(aminomethyl)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]cyclopropane-1-carboxamide
CID 115453085
N-[(2,2-dimethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945451
(2R)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 103814097
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119861051
N-[(1-ethylcyclopropyl)methyl]-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119945393
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-2-methylpentanamide
CID 61211375
1-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 110902752
2-(tert-butylamino)-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]acetamide
CID 78986830
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119861113
N-(3-ethyl-2-hydroxypentyl)-3-methylpiperidine-3-carboxamide
CID 103822069
(2S)-2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylbutanamide
CID 61211559

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride (CID 119946772) is N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride is CC1CCCC(CNC(=O)C2(C)CCCNC2)(N(C)C)C1.Cl.Cl.
What is the InChIKey of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
The InChIKey is JGVVADQTMNFUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O.2ClH/c1-14-7-5-9-17(11-14,20(3)4)13-19-15(21)16(2)8-6-10-18-12-16;;/h14,18H,5-13H2,1-4H3,(H,19,21);2*1H.
What are the key properties of N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride?
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride has a molecular weight of 368.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-3-methylpiperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119946772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).