2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide

C11H16ClF3N2O2 — CID 154856774

IUPAC2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide
SMILESO=C(CCl)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C11H16ClF3N2O2/c12-6-9(18)16-8-2-1-5-17(7-8)10(19)3-4-11(13,14)15/h8H,1-7H2,(H,16,18)/t8-/m1/s1
InChIKeyUJGHLYPTVMWFLW-MRVPVSSYSA-N
MW300.71 g/mol
LogP1.67
Rot. Bonds4

About 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide

2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide (PubChem CID 154856774) has the molecular formula C11H16ClF3N2O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide
PubChem CID154856774
Molecular FormulaC11H16ClF3N2O2
Molecular Weight300.71 g/mol
Exact Mass300.09
IUPAC Name2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide
SMILESO=C(CCl)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1
InChIInChI=1S/C11H16ClF3N2O2/c12-6-9(18)16-8-2-1-5-17(7-8)10(19)3-4-11(13,14)15/h8H,1-7H2,(H,16,18)/t8-/m1/s1
InChIKeyUJGHLYPTVMWFLW-MRVPVSSYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
(3S)-3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxylic acid
CID 126666154
N-[1-(2-aminoacetyl)piperidin-3-yl]butanamide
CID 119310790
tert-butyl N-[1-(2-chloroacetyl)piperidin-3-yl]carbamate
CID 66566123
3-[(2-chloroacetyl)amino]pyrrolidine-1-carboxamide
CID 130678398
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea
CID 167928804
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-4,4,4-trifluorobutan-1-one
CID 70778833
4,4,4-trifluoro-1-[3-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 72908257
N-[1-(2-chloroacetyl)pyrrolidin-3-yl]propanamide
CID 154848050

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide (CID 154856774) is 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide is O=C(CCl)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1.
What is the InChIKey of 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide?
The InChIKey is UJGHLYPTVMWFLW-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16ClF3N2O2/c12-6-9(18)16-8-2-1-5-17(7-8)10(19)3-4-11(13,14)15/h8H,1-7H2,(H,16,18)/t8-/m1/s1.
What are the key properties of 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide?
2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide has a molecular weight of 300.71 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 154856774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).