N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride

C15H28ClN3O2 — CID 119306959

IUPACN-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCC(=O)N(C)C1CCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-12(19)17(2)13-6-10-18(11-7-13)14(20)15(16)8-4-3-5-9-15;/h13H,3-11,16H2,1-2H3;1H
InChIKeyCSWQFEADHKGHSP-UHFFFAOYSA-N
MW317.86 g/mol
LogP1.54
Rot. Bonds2

About N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride

N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride (PubChem CID 119306959) has the molecular formula C15H28ClN3O2 and a molecular weight of 317.86 g/mol. Its IUPAC name is N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
PubChem CID119306959
Molecular FormulaC15H28ClN3O2
Molecular Weight317.86 g/mol
Exact Mass317.19
IUPAC NameN-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
SMILESCC(=O)N(C)C1CCN(C(=O)C2(N)CCCCC2)CC1.Cl
InChIInChI=1S/C15H27N3O2.ClH/c1-12(19)17(2)13-6-10-18(11-7-13)14(20)15(16)8-4-3-5-9-15;/h13H,3-11,16H2,1-2H3;1H
InChIKeyCSWQFEADHKGHSP-UHFFFAOYSA-N
XLogP1.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
(1-aminocyclopentyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119335089
4-(1-aminocyclopentanecarbonyl)-N-cyclohexyl-N-methylpiperazine-1-sulfonamide;hydrochloride
CID 119292583
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclobutyl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 81172154
1-(1-aminocyclobutanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 81172132
(1-aminocyclohexyl)-(4-ethylazepan-1-yl)methanone;hydrochloride
CID 119329946
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
CID 119307245
(1-aminocyclopentyl)-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]methanone;dihydrochloride
CID 154911945
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
(1-aminocyclohexyl)-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]methanone;hydrochloride
CID 119321409
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-(2,2,2-trifluoroethyl)methanesulfonamide;hydrochloride
CID 119324803

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride (CID 119306959) is N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride is CC(=O)N(C)C1CCN(C(=O)C2(N)CCCCC2)CC1.Cl.
What is the InChIKey of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
The InChIKey is CSWQFEADHKGHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.ClH/c1-12(19)17(2)13-6-10-18(11-7-13)14(20)15(16)8-4-3-5-9-15;/h13H,3-11,16H2,1-2H3;1H.
What are the key properties of N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride?
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride has a molecular weight of 317.86 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119306959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).