N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide

C18H26ClN3O2 — CID 119381901

IUPACN-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C18H26ClN3O2/c1-18(2,3)10-16(23)21-13-6-7-15(19)14(9-13)17(24)22-8-4-5-12(20)11-22/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H,21,23)
InChIKeyXLFMISFJDLCPRM-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.28
Rot. Bonds3

About N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide

N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide (PubChem CID 119381901) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide
PubChem CID119381901
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC(N)C2)c1
InChIInChI=1S/C18H26ClN3O2/c1-18(2,3)10-16(23)21-13-6-7-15(19)14(9-13)17(24)22-8-4-5-12(20)11-22/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H,21,23)
InChIKeyXLFMISFJDLCPRM-UHFFFAOYSA-N
XLogP3.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119399019
N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3,3-dimethylbutanamide
CID 119596885
2-[1-[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]piperidin-4-yl]acetic acid
CID 120515452
N-[4-chloro-3-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119547071
N-[4-chloro-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119652265
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
CID 119413561
N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide
CID 111459517
1-[2-chloro-5-(3,3-dimethylbutanoylamino)benzoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529226
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea
CID 119373757
(3-aminopiperidin-1-yl)-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119380155
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-(3,3-dimethylbutanoylamino)benzamide;hydrochloride
CID 119612583

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide (CID 119381901) is N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC(N)C2)c1.
What is the InChIKey of N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide?
The InChIKey is XLFMISFJDLCPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-18(2,3)10-16(23)21-13-6-7-15(19)14(9-13)17(24)22-8-4-5-12(20)11-22/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H,21,23).
What are the key properties of N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide?
N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide has a molecular weight of 351.88 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 119381901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).