2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide

C18H26ClN3O2 — CID 119776940

IUPAC2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H26ClN3O2/c1-3-12(2)16(20)17(23)21-13-7-8-14(15(19)11-13)18(24)22-9-5-4-6-10-22/h7-8,11-12,16H,3-6,9-10,20H2,1-2H3,(H,21,23)
InChIKeyYRFDRRHDIKWMIN-UHFFFAOYSA-N
MW351.88 g/mol
LogP3.28
Rot. Bonds5

About 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide

2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide (PubChem CID 119776940) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide
PubChem CID119776940
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide
SMILESCCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1
InChIInChI=1S/C18H26ClN3O2/c1-3-12(2)16(20)17(23)21-13-7-8-14(15(19)11-13)18(24)22-9-5-4-6-10-22/h7-8,11-12,16H,3-6,9-10,20H2,1-2H3,(H,21,23)
InChIKeyYRFDRRHDIKWMIN-UHFFFAOYSA-N
XLogP3.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-2-methylbutanamide
CID 120500534
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-chlorobenzoic acid
CID 61399074
(2S)-2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-4-methylpentanamide;hydrochloride
CID 119776951
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
2-amino-N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pentanamide;hydrochloride
CID 119283316
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 119776900
(2S)-2-amino-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-methylpentanamide
CID 61174610
(2S)-2-amino-N-(4-chlorophenyl)-3-methylpentanamide
CID 22690865
(2S,3S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61260000
1-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119776899
2-amino-3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pentanamide
CID 119861312
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide (CID 119776940) is 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide is CCC(C)C(N)C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1.
What is the InChIKey of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide?
The InChIKey is YRFDRRHDIKWMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-12(2)16(20)17(23)21-13-7-8-14(15(19)11-13)18(24)22-9-5-4-6-10-22/h7-8,11-12,16H,3-6,9-10,20H2,1-2H3,(H,21,23).
What are the key properties of 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide?
2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide has a molecular weight of 351.88 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-(piperidine-1-carbonyl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 119776940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).