(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H19F3N2O2 — CID 94098690

IUPAC(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-20-15(23)13-7-4-8-21(10-13)14(22)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,20,23)/t13-/m0/s1
InChIKeyASYRZHLFMJCMIV-ZDUSSCGKSA-N
MW328.33 g/mol
LogP2.15
Rot. Bonds4

About (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 94098690) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID94098690
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)11-20-15(23)13-7-4-8-21(10-13)14(22)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,20,23)/t13-/m0/s1
InChIKeyASYRZHLFMJCMIV-ZDUSSCGKSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462
1-(2-phenylacetyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 55652415
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
2-[[(3S)-1-(2-phenylacetyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 176713328
4-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541562
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
2-[[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245327
(3S)-N-[[(2S)-1-benzylpiperidin-2-yl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 98786828

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 94098690) is (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)[C@H]1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is ASYRZHLFMJCMIV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)11-20-15(23)13-7-4-8-21(10-13)14(22)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,20,23)/t13-/m0/s1.
What are the key properties of (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 94098690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).