N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide

C17H31N3O2 — CID 119761565

IUPACN-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C17H31N3O2/c1-12(2)16(21)19-10-13-5-4-8-20(11-13)17(22)14-6-3-7-15(18)9-14/h12-15H,3-11,18H2,1-2H3,(H,19,21)
InChIKeyWVEJHCCOKVXZQO-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.51
Rot. Bonds4

About N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide

N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide (PubChem CID 119761565) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
PubChem CID119761565
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC NameN-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC1CCCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C17H31N3O2/c1-12(2)16(21)19-10-13-5-4-8-20(11-13)17(22)14-6-3-7-15(18)9-14/h12-15H,3-11,18H2,1-2H3,(H,19,21)
InChIKeyWVEJHCCOKVXZQO-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807817
N-[[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 97011282
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
CID 119758308
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]-2-methylpropanamide;hydrochloride
CID 119761592
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119722344
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
1-(3-aminocyclopentanecarbonyl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 119763227

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide (CID 119761565) is N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCC1CCCN(C(=O)C2CCCC(N)C2)C1.
What is the InChIKey of N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
The InChIKey is WVEJHCCOKVXZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-12(2)16(21)19-10-13-5-4-8-20(11-13)17(22)14-6-3-7-15(18)9-14/h12-15H,3-11,18H2,1-2H3,(H,19,21).
What are the key properties of N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide?
N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide has a molecular weight of 309.45 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 119761565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).