N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

C20H24N2O2S — CID 43053389

IUPACN-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-7-9-16(10-8-15)13-21(2)19(23)17-5-3-11-22(14-17)20(24)18-6-4-12-25-18/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3
InChIKeyDYJGOVMBEMFOAO-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.57
Rot. Bonds4

About N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide

N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 43053389) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID43053389
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC NameN-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3cccs3)C2)cc1
InChIInChI=1S/C20H24N2O2S/c1-15-7-9-16(10-8-15)13-21(2)19(23)17-5-3-11-22(14-17)20(24)18-6-4-12-25-18/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3
InChIKeyDYJGOVMBEMFOAO-UHFFFAOYSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134002801
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 31936453
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
N-benzyl-N-(1-cyclopropylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947669
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557063
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86963349
1-acetyl-N-benzyl-N-methylpiperidine-3-carboxamide
CID 110686080

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 43053389) is N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is Cc1ccc(CN(C)C(=O)C2CCCN(C(=O)c3cccs3)C2)cc1.
What is the InChIKey of N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is DYJGOVMBEMFOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-15-7-9-16(10-8-15)13-21(2)19(23)17-5-3-11-22(14-17)20(24)18-6-4-12-25-18/h4,6-10,12,17H,3,5,11,13-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 43053389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).