2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C16H19ClF3N3O2 — CID 171691231

IUPAC2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C16H19ClF3N3O2/c1-10(24)21-12-3-2-6-23(8-12)9-15(25)22-14-7-11(16(18,19)20)4-5-13(14)17/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyDQJYWVBKCWAXKM-UHFFFAOYSA-N
MW377.79 g/mol
LogP2.90
Rot. Bonds4

About 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 171691231) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID171691231
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC Name2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)NC1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1
InChIInChI=1S/C16H19ClF3N3O2/c1-10(24)21-12-3-2-6-23(8-12)9-15(25)22-14-7-11(16(18,19)20)4-5-13(14)17/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,21,24)(H,22,25)
InChIKeyDQJYWVBKCWAXKM-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
ethyl (3R)-1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8532524
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 166602037
N-(2,5-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545625
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
CID 1276717
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352409
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]acetamide
CID 163350899
4-chloro-3-[[2-(3-hydroxypiperidin-1-yl)acetyl]amino]benzoic acid
CID 60702556
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467108
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 171691231) is 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(=O)NC1CCCN(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1.
What is the InChIKey of 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DQJYWVBKCWAXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c1-10(24)21-12-3-2-6-23(8-12)9-15(25)22-14-7-11(16(18,19)20)4-5-13(14)17/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 377.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopiperidin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 171691231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).