1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

C19H21FN2O2S — CID 17398422

IUPAC1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(c2ccc(F)cc2)c2cccs2)CC1
InChIInChI=1S/C19H21FN2O2S/c1-13(23)22-10-8-15(9-11-22)19(24)21-18(17-3-2-12-25-17)14-4-6-16(20)7-5-14/h2-7,12,15,18H,8-11H2,1H3,(H,21,24)
InChIKeyAQIFPQCPEJUJSP-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.35
Rot. Bonds4

About 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 17398422) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
PubChem CID17398422
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC Name1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(c2ccc(F)cc2)c2cccs2)CC1
InChIInChI=1S/C19H21FN2O2S/c1-13(23)22-10-8-15(9-11-22)19(24)21-18(17-3-2-12-25-17)14-4-6-16(20)7-5-14/h2-7,12,15,18H,8-11H2,1H3,(H,21,24)
InChIKeyAQIFPQCPEJUJSP-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (CID 17398422) is 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(c2ccc(F)cc2)c2cccs2)CC1.
What is the InChIKey of 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is AQIFPQCPEJUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c1-13(23)22-10-8-15(9-11-22)19(24)21-18(17-3-2-12-25-17)14-4-6-16(20)7-5-14/h2-7,12,15,18H,8-11H2,1H3,(H,21,24).
What are the key properties of 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 17398422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).