N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide

C16H22ClN3O2 — CID 119376974

IUPACN-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C16H22ClN3O2/c1-10(2)15(21)19-12-3-4-14(17)13(9-12)16(22)20-7-5-11(18)6-8-20/h3-4,9-11H,5-8,18H2,1-2H3,(H,19,21)
InChIKeyGNRWRHDPVLAWCM-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.50
Rot. Bonds3

About N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide

N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide (PubChem CID 119376974) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide
PubChem CID119376974
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC NameN-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(N)CC2)c1
InChIInChI=1S/C16H22ClN3O2/c1-10(2)15(21)19-12-3-4-14(17)13(9-12)16(22)20-7-5-11(18)6-8-20/h3-4,9-11H,5-8,18H2,1-2H3,(H,19,21)
InChIKeyGNRWRHDPVLAWCM-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119376973
N-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide
CID 119413561
1-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3-tert-butylurea
CID 119373757
N-[3-[2-(aminomethyl)piperidine-1-carbonyl]-4-chlorophenyl]-2-methylpropanamide;hydrochloride
CID 119469857
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
N-[4-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119412143
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
2-chloro-N-methyl-5-(2-methylpropanoylamino)benzamide
CID 47263248
3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
N-[4-(dimethylamino)-3-(piperidine-1-carbonyl)phenyl]-2-methylpropanamide
CID 42747272

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide (CID 119376974) is N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CCC(N)CC2)c1.
What is the InChIKey of N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide?
The InChIKey is GNRWRHDPVLAWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-10(2)15(21)19-12-3-4-14(17)13(9-12)16(22)20-7-5-11(18)6-8-20/h3-4,9-11H,5-8,18H2,1-2H3,(H,19,21).
What are the key properties of N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide?
N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide has a molecular weight of 323.82 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminopiperidine-1-carbonyl)-4-chlorophenyl]-2-methylpropanamide is sourced from PubChem (CID 119376974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).