N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C23H26N4O2S — CID 86868702

IUPACN-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)C3CCCN(C(=O)c4cccs4)C3)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c24-15-17-5-7-20(8-6-17)26-12-9-19(10-13-26)25-22(28)18-3-1-11-27(16-18)23(29)21-4-2-14-30-21/h2,4-8,14,18-19H,1,3,9-13,16H2,(H,25,28)
InChIKeyRTTMCTVWPAILKD-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 86868702) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID86868702
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESN#Cc1ccc(N2CCC(NC(=O)C3CCCN(C(=O)c4cccs4)C3)CC2)cc1
InChIInChI=1S/C23H26N4O2S/c24-15-17-5-7-20(8-6-17)26-12-9-19(10-13-26)25-22(28)18-3-1-11-27(16-18)23(29)21-4-2-14-30-21/h2,4-8,14,18-19H,1,3,9-13,16H2,(H,25,28)
InChIKeyRTTMCTVWPAILKD-UHFFFAOYSA-N
XLogP3.26
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55715816
N-[1-(4-cyanophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134035121
(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86965741
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-[4-(cyanomethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558619
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86934095

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 86868702) is N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is N#Cc1ccc(N2CCC(NC(=O)C3CCCN(C(=O)c4cccs4)C3)CC2)cc1.
What is the InChIKey of N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is RTTMCTVWPAILKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c24-15-17-5-7-20(8-6-17)26-12-9-19(10-13-26)25-22(28)18-3-1-11-27(16-18)23(29)21-4-2-14-30-21/h2,4-8,14,18-19H,1,3,9-13,16H2,(H,25,28).
What are the key properties of N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)piperidin-4-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 86868702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).