N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

C14H19F3N2O2S — CID 97078968

IUPACN-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)12(20)10-4-7-19(8-5-10)13(21)18-6-3-11-2-1-9-22-11/h1-2,9-10,12,20H,3-8H2,(H,18,21)/t12-/m0/s1
InChIKeyMBKVEKOIDSUTRO-LBPRGKRZSA-N
MW336.38 g/mol
LogP2.64
Rot. Bonds4

About N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide

N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (PubChem CID 97078968) has the molecular formula C14H19F3N2O2S and a molecular weight of 336.38 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
PubChem CID97078968
Molecular FormulaC14H19F3N2O2S
Molecular Weight336.38 g/mol
Exact Mass336.11
IUPAC NameN-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
SMILESO=C(NCCc1cccs1)N1CCC([C@H](O)C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O2S/c15-14(16,17)12(20)10-4-7-19(8-5-10)13(21)18-6-3-11-2-1-9-22-11/h1-2,9-10,12,20H,3-8H2,(H,18,21)/t12-/m0/s1
InChIKeyMBKVEKOIDSUTRO-LBPRGKRZSA-N
XLogP2.64
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide (CID 97078968) is N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is O=C(NCCc1cccs1)N1CCC([C@H](O)C(F)(F)F)CC1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
The InChIKey is MBKVEKOIDSUTRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F3N2O2S/c15-14(16,17)12(20)10-4-7-19(8-5-10)13(21)18-6-3-11-2-1-9-22-11/h1-2,9-10,12,20H,3-8H2,(H,18,21)/t12-/m0/s1.
What are the key properties of N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide?
N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide has a molecular weight of 336.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide is sourced from PubChem (CID 97078968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).