N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C20H23F3N2O2 — CID 2532711

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-4-6-15(12-16)13-19(26)24-14-17(18-8-5-11-27-18)25-9-2-1-3-10-25/h4-8,11-12,17H,1-3,9-10,13-14H2,(H,24,26)/t17-/m0/s1
InChIKeyPKVJKEAMWZANQA-KRWDZBQOSA-N
MW380.41 g/mol
LogP4.18
Rot. Bonds6

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 2532711) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID2532711
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCCC1
InChIInChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-4-6-15(12-16)13-19(26)24-14-17(18-8-5-11-27-18)25-9-2-1-3-10-25/h4-8,11-12,17H,1-3,9-10,13-14H2,(H,24,26)/t17-/m0/s1
InChIKeyPKVJKEAMWZANQA-KRWDZBQOSA-N
XLogP4.18
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 55330425
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111008175
(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7972754
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8504243
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 4807708
4-tert-butyl-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 55347489
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 2532711) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)N1CCCCC1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PKVJKEAMWZANQA-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c21-20(22,23)16-7-4-6-15(12-16)13-19(26)24-14-17(18-8-5-11-27-18)25-9-2-1-3-10-25/h4-8,11-12,17H,1-3,9-10,13-14H2,(H,24,26)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 380.41 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2532711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).