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

C25H32F3N3O2S — CID 140651901

IUPACN-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C25H32F3N3O2S/c26-25(27,28)20-6-4-18(5-7-20)24(33)31-13-9-17(10-14-31)3-1-2-11-30-23(32)21-15-19-8-12-29-16-22(19)34-21/h8,12,15-18,20H,1-7,9-11,13-14H2,(H,30,32)
InChIKeyQWDHZMPTLYQXIX-UHFFFAOYSA-N
MW495.61 g/mol
LogP5.80
Rot. Bonds7

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

N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 140651901) has the molecular formula C25H32F3N3O2S and a molecular weight of 495.61 g/mol. Its IUPAC name is N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID140651901
Molecular FormulaC25H32F3N3O2S
Molecular Weight495.61 g/mol
Exact Mass495.22
IUPAC NameN-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C25H32F3N3O2S/c26-25(27,28)20-6-4-18(5-7-20)24(33)31-13-9-17(10-14-31)3-1-2-11-30-23(32)21-15-19-8-12-29-16-22(19)34-21/h8,12,15-18,20H,1-7,9-11,13-14H2,(H,30,32)
InChIKeyQWDHZMPTLYQXIX-UHFFFAOYSA-N
XLogP5.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.61
LogP ≤ 55.80
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-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651970
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
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-(furo[2,3-c]pyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381466
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-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381302
N-[4-[1-(5-propan-2-ylpyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983527
6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 148501492
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-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 166343844
4-[4-(1H-pyrrolo[3,2-c]pyridine-2-carbonylamino)butyl]piperidine-1-carboxylic acid
CID 90374114

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 140651901) is N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)C2CCC(C(F)(F)F)CC2)CC1)c1cc2ccncc2s1.
What is the InChIKey of N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is QWDHZMPTLYQXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O2S/c26-25(27,28)20-6-4-18(5-7-20)24(33)31-13-9-17(10-14-31)3-1-2-11-30-23(32)21-15-19-8-12-29-16-22(19)34-21/h8,12,15-18,20H,1-7,9-11,13-14H2,(H,30,32).
What are the key properties of N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 495.61 g/mol, XLogP of 5.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 140651901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).