N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C17H16ClFN2O2S — CID 1075518

IUPACN-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16ClFN2O2S/c18-13-10-12(3-4-14(13)19)20-16(22)11-5-7-21(8-6-11)17(23)15-2-1-9-24-15/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyUIOLPNAUYRSXQR-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.03
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075518) has the molecular formula C17H16ClFN2O2S and a molecular weight of 366.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075518
Molecular FormulaC17H16ClFN2O2S
Molecular Weight366.85 g/mol
Exact Mass366.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16ClFN2O2S/c18-13-10-12(3-4-14(13)19)20-16(22)11-5-7-21(8-6-11)17(23)15-2-1-9-24-15/h1-4,9-11H,5-8H2,(H,20,22)
InChIKeyUIOLPNAUYRSXQR-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-3-nitrophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224058
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
1-(thiophene-2-carbonyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 18195855
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(9H-fluoren-2-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46817722
1-(3-aminopropanoyl)-N-(3-chloro-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119325792
N-(3-chloro-4-fluorophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31789168
N-(3-chloro-4-fluorophenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71938113
N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24599674
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075518) is N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is UIOLPNAUYRSXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O2S/c18-13-10-12(3-4-14(13)19)20-16(22)11-5-7-21(8-6-11)17(23)15-2-1-9-24-15/h1-4,9-11H,5-8H2,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).