N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C22H28N2O2S — CID 51199351

IUPACN-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-16(2)15-19(17-7-4-3-5-8-17)23-21(25)18-10-12-24(13-11-18)22(26)20-9-6-14-27-20/h3-9,14,16,18-19H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyNEJVIBSBGXFBAW-UHFFFAOYSA-N
MW384.55 g/mol
LogP4.50
Rot. Bonds6

About N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 51199351) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID51199351
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC NameN-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C22H28N2O2S/c1-16(2)15-19(17-7-4-3-5-8-17)23-21(25)18-10-12-24(13-11-18)22(26)20-9-6-14-27-20/h3-9,14,16,18-19H,10-13,15H2,1-2H3,(H,23,25)
InChIKeyNEJVIBSBGXFBAW-UHFFFAOYSA-N
XLogP4.50
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
CID 8938106
N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150147
N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9150146
N-[(1R)-3-methyl-1-phenylbutyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27853385
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 134061219
N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
(3S)-N-[(1S)-3-methyl-1-phenylbutyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 94012606
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306894
N-(2-methylpropyl)-1-[1-(thiophene-2-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693237
(3S)-N-[(2R)-4-methylpentan-2-yl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 97013445
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 51199351) is N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CC(C)CC(NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NEJVIBSBGXFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-16(2)15-19(17-7-4-3-5-8-17)23-21(25)18-10-12-24(13-11-18)22(26)20-9-6-14-27-20/h3-9,14,16,18-19H,10-13,15H2,1-2H3,(H,23,25).
What are the key properties of N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 384.55 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51199351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).