N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

C23H29FN4O2S — CID 86967421

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)N3CCC(NC(=O)c4ccsc4)CC3)C2)c1
InChIInChI=1S/C23H29FN4O2S/c1-16-4-5-20(24)21(13-16)28-9-2-3-19(14-28)26-23(30)27-10-6-18(7-11-27)25-22(29)17-8-12-31-15-17/h4-5,8,12-13,15,18-19H,2-3,6-7,9-11,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyNPALIFJWTHKFEU-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (PubChem CID 86967421) has the molecular formula C23H29FN4O2S and a molecular weight of 444.58 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
PubChem CID86967421
Molecular FormulaC23H29FN4O2S
Molecular Weight444.58 g/mol
Exact Mass444.20
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide
SMILESCc1ccc(F)c(N2CCCC(NC(=O)N3CCC(NC(=O)c4ccsc4)CC3)C2)c1
InChIInChI=1S/C23H29FN4O2S/c1-16-4-5-20(24)21(13-16)28-9-2-3-19(14-28)26-23(30)27-10-6-18(7-11-27)25-22(29)17-8-12-31-15-17/h4-5,8,12-13,15,18-19H,2-3,6-7,9-11,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyNPALIFJWTHKFEU-UHFFFAOYSA-N
XLogP3.77
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86967402
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methoxythiophene-2-carboxamide
CID 86965351
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 86967389
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(1-propylsulfonylpiperidin-4-yl)urea
CID 86966897
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 86965307
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-methylsulfonyl-5-nitrobenzamide
CID 86965282

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide (CID 86967421) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is Cc1ccc(F)c(N2CCCC(NC(=O)N3CCC(NC(=O)c4ccsc4)CC3)C2)c1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
The InChIKey is NPALIFJWTHKFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2S/c1-16-4-5-20(24)21(13-16)28-9-2-3-19(14-28)26-23(30)27-10-6-18(7-11-27)25-22(29)17-8-12-31-15-17/h4-5,8,12-13,15,18-19H,2-3,6-7,9-11,14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 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]-4-(thiophene-3-carbonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 86967421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).