N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C25H34FN3O2S — CID 140651970

IUPACN-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)CC1F
InChIInChI=1S/C25H34FN3O2S/c1-17-5-6-20(14-21(17)26)25(31)29-12-8-18(9-13-29)4-2-3-10-28-24(30)22-15-19-7-11-27-16-23(19)32-22/h7,11,15-18,20-21H,2-6,8-10,12-14H2,1H3,(H,28,30)
InChIKeyLMLHVNSDILWIQF-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.21
Rot. Bonds7

About N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 140651970) has the molecular formula C25H34FN3O2S and a molecular weight of 459.63 g/mol. Its IUPAC name is N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID140651970
Molecular FormulaC25H34FN3O2S
Molecular Weight459.63 g/mol
Exact Mass459.24
IUPAC NameN-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCC1CCC(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)CC1F
InChIInChI=1S/C25H34FN3O2S/c1-17-5-6-20(14-21(17)26)25(31)29-12-8-18(9-13-29)4-2-3-10-28-24(30)22-15-19-7-11-27-16-23(19)32-22/h7,11,15-18,20-21H,2-6,8-10,12-14H2,1H3,(H,28,30)
InChIKeyLMLHVNSDILWIQF-UHFFFAOYSA-N
XLogP5.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651901
N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651867
N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 129142612
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
N-[4-[1-(5-propan-2-ylpyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983527
N-[4-[1-(furo[2,3-c]pyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381466
N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381302
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 148501492
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114
6-[1-(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 147985860

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 140651970) is N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is CC1CCC(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)CC1F.
What is the InChIKey of N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is LMLHVNSDILWIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34FN3O2S/c1-17-5-6-20(14-21(17)26)25(31)29-12-8-18(9-13-29)4-2-3-10-28-24(30)22-15-19-7-11-27-16-23(19)32-22/h7,11,15-18,20-21H,2-6,8-10,12-14H2,1H3,(H,28,30).
What are the key properties of N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 459.63 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 140651970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).