2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide

C16H22ClN3O2 — CID 69229535

IUPAC2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CN)C1
InChIInChI=1S/C16H22ClN3O2/c1-10-5-11(2)9-20(8-10)16(22)13-6-12(17)3-4-14(13)19-15(21)7-18/h3-4,6,10-11H,5,7-9,18H2,1-2H3,(H,19,21)/t10-,11+
InChIKeyYORYSMGFWKNYMW-PHIMTYICSA-N
MW323.82 g/mol
LogP2.36
Rot. Bonds3

About 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide

2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide (PubChem CID 69229535) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
PubChem CID69229535
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CN)C1
InChIInChI=1S/C16H22ClN3O2/c1-10-5-11(2)9-20(8-10)16(22)13-6-12(17)3-4-14(13)19-15(21)7-18/h3-4,6,10-11H,5,7-9,18H2,1-2H3,(H,19,21)/t10-,11+
InChIKeyYORYSMGFWKNYMW-PHIMTYICSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide with MolForge

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Related Compounds

2-[(2-aminoacetyl)amino]-5-chlorobenzoic acid
CID 61158198
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(5-chloro-2-hydrazinylphenyl)-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960537
(5-chloro-2-hydrazinylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114540969
N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-oxobutanamide
CID 143735227
(2Z,4Z)-5-amino-N-[2-[4-chloro-2-[1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethenyl]anilino]-2-oxoethyl]-2-(1-chloroethenyl)penta-2,4-dienamide
CID 89247091
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
(5-chloro-2-hydrazinylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 62247369
(4-chloro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646486
[5-chloro-2-(propylamino)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 62171256
N'-benzyl-N-[4-chloro-2-[1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethenyl]phenyl]-N'-methylbutanediamide
CID 89247221

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide (CID 69229535) is 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide is C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Cl)ccc2NC(=O)CN)C1.
What is the InChIKey of 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide?
The InChIKey is YORYSMGFWKNYMW-PHIMTYICSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-10-5-11(2)9-20(8-10)16(22)13-6-12(17)3-4-14(13)19-15(21)7-18/h3-4,6,10-11H,5,7-9,18H2,1-2H3,(H,19,21)/t10-,11+.
What are the key properties of 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide?
2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide has a molecular weight of 323.82 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]acetamide is sourced from PubChem (CID 69229535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).