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

C19H20F2N2O2S — CID 134002801

IUPACN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H20F2N2O2S/c1-22(11-13-6-7-15(20)10-16(13)21)18(24)14-4-2-8-23(12-14)19(25)17-5-3-9-26-17/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3
InChIKeyUPDCZZYBCVOVLI-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.54
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (PubChem CID 134002801) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
PubChem CID134002801
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)C1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C19H20F2N2O2S/c1-22(11-13-6-7-15(20)10-16(13)21)18(24)14-4-2-8-23(12-14)19(25)17-5-3-9-26-17/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3
InChIKeyUPDCZZYBCVOVLI-UHFFFAOYSA-N
XLogP3.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053277
N-methyl-N-[(4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053389
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 46557063
N-cyclopentyl-N-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134061108
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 86941087
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55558627
N-butyl-N-methyl-1-[1-(thiophene-2-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 55862816
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390032
[4-(4-fluorobenzoyl)piperazin-1-yl]-[(3S)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 38390036
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 31936453
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide (CID 134002801) is N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)C1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is UPDCZZYBCVOVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c1-22(11-13-6-7-15(20)10-16(13)21)18(24)14-4-2-8-23(12-14)19(25)17-5-3-9-26-17/h3,5-7,9-10,14H,2,4,8,11-12H2,1H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 134002801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).