N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C24H30N2O2S — CID 9479280

IUPACN-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1
InChIInChI=1S/C24H30N2O2S/c1-17(2)19-7-5-18(6-8-19)16-26(21-9-10-21)23(27)20-11-13-25(14-12-20)24(28)22-4-3-15-29-22/h3-8,15,17,20-21H,9-14,16H2,1-2H3
InChIKeyPTXMJXLYDKBVBN-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.91
Rot. Bonds6

About N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 9479280) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID9479280
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC NameN-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(C)c1ccc(CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1
InChIInChI=1S/C24H30N2O2S/c1-17(2)19-7-5-18(6-8-19)16-26(21-9-10-21)23(27)20-11-13-25(14-12-20)24(28)22-4-3-15-29-22/h3-8,15,17,20-21H,9-14,16H2,1-2H3
InChIKeyPTXMJXLYDKBVBN-UHFFFAOYSA-N
XLogP4.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
N-cyclopropyl-1-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 24603644
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 34152158
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46591771
N-(1,3-benzodioxol-5-ylmethyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 124736449
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55406950
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-cyclopropyl-1-(1-methylpyrrol-3-yl)sulfonyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 25472551
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 9479280) is N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CC(C)c1ccc(CN(C(=O)C2CCN(C(=O)c3cccs3)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is PTXMJXLYDKBVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-17(2)19-7-5-18(6-8-19)16-26(21-9-10-21)23(27)20-11-13-25(14-12-20)24(28)22-4-3-15-29-22/h3-8,15,17,20-21H,9-14,16H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 9479280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).