N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide

C17H23ClN2O3 — CID 111459517

IUPACN-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C17H23ClN2O3/c1-11(2)8-16(22)19-12-5-6-15(18)14(9-12)17(23)20-7-3-4-13(21)10-20/h5-6,9,11,13,21H,3-4,7-8,10H2,1-2H3,(H,19,22)
InChIKeyJYJBTDFIWAJTIP-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.92
Rot. Bonds4

About N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide

N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide (PubChem CID 111459517) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide
PubChem CID111459517
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C17H23ClN2O3/c1-11(2)8-16(22)19-12-5-6-15(18)14(9-12)17(23)20-7-3-4-13(21)10-20/h5-6,9,11,13,21H,3-4,7-8,10H2,1-2H3,(H,19,22)
InChIKeyJYJBTDFIWAJTIP-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(1,4-diazepane-1-carbonyl)phenyl]-3-methylbutanamide;hydrochloride
CID 119415161
1-[2-chloro-5-(3-methylbutanoylamino)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251374
N-[3-[3-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3,3-dimethylbutanamide
CID 119596885
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
N-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide;hydrochloride
CID 119435206
N-[3-(3-aminopiperidine-1-carbonyl)-4-chlorophenyl]-3,3-dimethylbutanamide
CID 119381901
N-[3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide
CID 120746749
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267
N-[3-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-4-chlorophenyl]-3-methylbutanamide;hydrochloride
CID 120746748
N-[4-chloro-3-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119399019
N-(3-chloro-4-cyanophenyl)-2-[2-(3-hydroxypiperidine-1-carbonyl)anilino]acetamide
CID 60536925

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide (CID 111459517) is N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC(O)C2)c1.
What is the InChIKey of N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide?
The InChIKey is JYJBTDFIWAJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-11(2)8-16(22)19-12-5-6-15(18)14(9-12)17(23)20-7-3-4-13(21)10-20/h5-6,9,11,13,21H,3-4,7-8,10H2,1-2H3,(H,19,22).
What are the key properties of N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide?
N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide has a molecular weight of 338.84 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(3-hydroxypiperidine-1-carbonyl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 111459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).