N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide

C18H21FN2O2S — CID 86965351

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCCN(c2cc(C)ccc2F)C1
InChIInChI=1S/C18H21FN2O2S/c1-12-5-6-14(19)15(10-12)21-8-3-4-13(11-21)20-18(22)17-16(23-2)7-9-24-17/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,20,22)
InChIKeyCTWRKMJKNQELDG-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.60
Rot. Bonds4

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide (PubChem CID 86965351) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
PubChem CID86965351
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NC1CCCN(c2cc(C)ccc2F)C1
InChIInChI=1S/C18H21FN2O2S/c1-12-5-6-14(19)15(10-12)21-8-3-4-13(11-21)20-18(22)17-16(23-2)7-9-24-17/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,20,22)
InChIKeyCTWRKMJKNQELDG-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-methyl-3-nitrobenzamide
CID 86965404
(3R)-N-[(3R)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-hydroxythiolane-3-carboxamide
CID 97330646
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
CID 86967421
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 86966202
N-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 86965265
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
N-[(3R)-1-(2-fluorophenyl)piperidin-3-yl]-5-methoxy-4-oxopyran-2-carboxamide
CID 124741629

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide (CID 86965351) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NC1CCCN(c2cc(C)ccc2F)C1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide?
The InChIKey is CTWRKMJKNQELDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-12-5-6-14(19)15(10-12)21-8-3-4-13(11-21)20-18(22)17-16(23-2)7-9-24-17/h5-7,9-10,13H,3-4,8,11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide has a molecular weight of 348.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 86965351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).