N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

C17H31N3O2 — CID 119479204

IUPACN-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)16(22)20-10-4-5-12(11-20)15(21)19-14-8-6-13(18)7-9-14/h12-14H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyPTXCTVCYMXHSHV-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.66
Rot. Bonds2

About N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide

N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (PubChem CID 119479204) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
PubChem CID119479204
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)NC2CCC(N)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)16(22)20-10-4-5-12(11-20)15(21)19-14-8-6-13(18)7-9-14/h12-14H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyPTXCTVCYMXHSHV-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
1-(2,2-dimethylpropanoyl)piperidine-3-carbohydrazide
CID 54793989
N-cyclopropyl-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344179
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324
1-[3-(3-aminopiperidine-1-carbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119381930
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47990926
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437
N-(4-aminocyclohexyl)cycloheptanecarboxamide;hydrochloride
CID 119478130
1-(2,2-dimethylpropanoyl)-N-propylpiperidine-3-carboxamide
CID 47986666

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide (CID 119479204) is N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is CC(C)(C)C(=O)N1CCCC(C(=O)NC2CCC(N)CC2)C1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
The InChIKey is PTXCTVCYMXHSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)16(22)20-10-4-5-12(11-20)15(21)19-14-8-6-13(18)7-9-14/h12-14H,4-11,18H2,1-3H3,(H,19,21).
What are the key properties of N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide?
N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide has a molecular weight of 309.45 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 119479204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).