N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C25H31N3O2S — CID 86934095

IUPACN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C25H31N3O2S/c29-24(19-8-4-12-27(17-19)25(30)23-9-5-13-31-23)26-20-14-21-10-11-22(15-20)28(21)16-18-6-2-1-3-7-18/h1-3,5-7,9,13,19-22H,4,8,10-12,14-17H2,(H,26,29)
InChIKeyKBUUDJOFTZPIIL-UHFFFAOYSA-N
MW437.61 g/mol
LogP3.91
Rot. Bonds5

About N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 86934095) has the molecular formula C25H31N3O2S and a molecular weight of 437.61 g/mol. Its IUPAC name is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID86934095
Molecular FormulaC25H31N3O2S
Molecular Weight437.61 g/mol
Exact Mass437.21
IUPAC NameN-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESO=C(NC1CC2CCC(C1)N2Cc1ccccc1)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C25H31N3O2S/c29-24(19-8-4-12-27(17-19)25(30)23-9-5-13-31-23)26-20-14-21-10-11-22(15-20)28(21)16-18-6-2-1-3-7-18/h1-3,5-7,9,13,19-22H,4,8,10-12,14-17H2,(H,26,29)
InChIKeyKBUUDJOFTZPIIL-UHFFFAOYSA-N
XLogP3.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.61
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
N-[(4-chlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46556728
3-amino-N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)cyclohexane-1-carboxamide
CID 119886001
N-[(1S,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]pyrrolidine-1-carboxamide
CID 1461805
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053338
N-[1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]benzamide
CID 42892598
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
N-cyclododecyl-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511039
N-[1-(2-methoxyphenyl)piperidin-3-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86965741

Frequently Asked Questions

What is the IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 86934095) is N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is O=C(NC1CC2CCC(C1)N2Cc1ccccc1)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is KBUUDJOFTZPIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2S/c29-24(19-8-4-12-27(17-19)25(30)23-9-5-13-31-23)26-20-14-21-10-11-22(15-20)28(21)16-18-6-2-1-3-7-18/h1-3,5-7,9,13,19-22H,4,8,10-12,14-17H2,(H,26,29).
What are the key properties of N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 437.61 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 86934095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).