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

C18H23FN4OS — CID 155871466

IUPAC4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C18H23FN4OS/c1-13-21-16(12-25-13)11-23-8-6-18(7-9-23,17(24)20-2)22-15-5-3-4-14(19)10-15/h3-5,10,12,22H,6-9,11H2,1-2H3,(H,20,24)
InChIKeyOSDVIUDSNDJZIP-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.78
Rot. Bonds5

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

4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 155871466) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID155871466
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC Name4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C18H23FN4OS/c1-13-21-16(12-25-13)11-23-8-6-18(7-9-23,17(24)20-2)22-15-5-3-4-14(19)10-15/h3-5,10,12,22H,6-9,11H2,1-2H3,(H,20,24)
InChIKeyOSDVIUDSNDJZIP-UHFFFAOYSA-N
XLogP2.78
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871248
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
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-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
1-(cyclopentylmethyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155879288
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
1-(cyclopropanecarbonyl)-4-(3-fluoroanilino)-N-methylpiperidine-4-carboxamide
CID 155872854
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
4-(3-fluoroanilino)-N-methyl-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155871376
4-(3-fluorophenyl)-9-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985939

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 155871466) is 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is CNC(=O)C1(Nc2cccc(F)c2)CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is OSDVIUDSNDJZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-13-21-16(12-25-13)11-23-8-6-18(7-9-23,17(24)20-2)22-15-5-3-4-14(19)10-15/h3-5,10,12,22H,6-9,11H2,1-2H3,(H,20,24).
What are the key properties of 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155871466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).