N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C23H28N2O2S — CID 42947669

IUPACN-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C23H28N2O2S/c1-17(19-11-12-19)25(15-18-7-3-2-4-8-18)22(26)20-9-5-13-24(16-20)23(27)21-10-6-14-28-21/h2-4,6-8,10,14,17,19-20H,5,9,11-13,15-16H2,1H3
InChIKeyBSNFJDBRTOTBTQ-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.43
Rot. Bonds6

About N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42947669) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID42947669
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC NameN-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCC(C1CC1)N(Cc1ccccc1)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C23H28N2O2S/c1-17(19-11-12-19)25(15-18-7-3-2-4-8-18)22(26)20-9-5-13-24(16-20)23(27)21-10-6-14-28-21/h2-4,6-8,10,14,17,19-20H,5,9,11-13,15-16H2,1H3
InChIKeyBSNFJDBRTOTBTQ-UHFFFAOYSA-N
XLogP4.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 55555852
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86963349
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(2-methylpropyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 134034140
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
(3S)-N-[2-[di(propan-2-yl)amino]ethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30783507
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 42947669) is N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CC(C1CC1)N(Cc1ccccc1)C(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is BSNFJDBRTOTBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-17(19-11-12-19)25(15-18-7-3-2-4-8-18)22(26)20-9-5-13-24(16-20)23(27)21-10-6-14-28-21/h2-4,6-8,10,14,17,19-20H,5,9,11-13,15-16H2,1H3.
What are the key properties of N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 396.56 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42947669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).