4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C19H25FN4OS — CID 155871248

IUPAC4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)cs1
InChIInChI=1S/C19H25FN4OS/c1-14-21-17(13-26-14)12-24-9-7-19(8-10-24,18(25)23(2)3)22-16-6-4-5-15(20)11-16/h4-6,11,13,22H,7-10,12H2,1-3H3
InChIKeyZVYPHVPZUUFFMZ-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.13
Rot. Bonds5

About 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 155871248) has the molecular formula C19H25FN4OS and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID155871248
Molecular FormulaC19H25FN4OS
Molecular Weight376.50 g/mol
Exact Mass376.17
IUPAC Name4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)cs1
InChIInChI=1S/C19H25FN4OS/c1-14-21-17(13-26-14)12-24-9-7-19(8-10-24,18(25)23(2)3)22-16-6-4-5-15(20)11-16/h4-6,11,13,22H,7-10,12H2,1-3H3
InChIKeyZVYPHVPZUUFFMZ-UHFFFAOYSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid
CID 171695910
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155873984
4-anilino-N,N-dimethyl-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155873454
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 155871248) is 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(Nc3cccc(F)c3)(C(=O)N(C)C)CC2)cs1.
What is the InChIKey of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is ZVYPHVPZUUFFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4OS/c1-14-21-17(13-26-14)12-24-9-7-19(8-10-24,18(25)23(2)3)22-16-6-4-5-15(20)11-16/h4-6,11,13,22H,7-10,12H2,1-3H3.
What are the key properties of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155871248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).