N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C24H31F3N4O2S — CID 140651931

IUPACN-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C24H31F3N4O2S/c25-24(26,27)18-4-5-19(30-14-18)23(33)31-11-7-16(8-12-31)3-1-2-9-29-22(32)20-13-17-6-10-28-15-21(17)34-20/h6,10,13,15-16,18-19,30H,1-5,7-9,11-12,14H2,(H,29,32)
InChIKeyLCRKSSXMMIWGRN-UHFFFAOYSA-N
MW496.60 g/mol
LogP4.37
Rot. Bonds7

About N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 140651931) has the molecular formula C24H31F3N4O2S and a molecular weight of 496.60 g/mol. Its IUPAC name is N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID140651931
Molecular FormulaC24H31F3N4O2S
Molecular Weight496.60 g/mol
Exact Mass496.21
IUPAC NameN-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NCCCCC1CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1)c1cc2ccncc2s1
InChIInChI=1S/C24H31F3N4O2S/c25-24(26,27)18-4-5-19(30-14-18)23(33)31-11-7-16(8-12-31)3-1-2-9-29-22(32)20-13-17-6-10-28-15-21(17)34-20/h6,10,13,15-16,18-19,30H,1-5,7-9,11-12,14H2,(H,29,32)
InChIKeyLCRKSSXMMIWGRN-UHFFFAOYSA-N
XLogP4.37
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 140651931) is N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)C2CCC(C(F)(F)F)CN2)CC1)c1cc2ccncc2s1.
What is the InChIKey of N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is LCRKSSXMMIWGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O2S/c25-24(26,27)18-4-5-19(30-14-18)23(33)31-11-7-16(8-12-31)3-1-2-9-29-22(32)20-13-17-6-10-28-15-21(17)34-20/h6,10,13,15-16,18-19,30H,1-5,7-9,11-12,14H2,(H,29,32).
What are the key properties of N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 496.60 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[5-(trifluoromethyl)piperidine-2-carbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 140651931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).