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

C22H28FN3O — CID 155873984

IUPAC4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1
InChIInChI=1S/C22H28FN3O/c1-17-7-4-5-8-18(17)16-26-13-11-22(12-14-26,21(27)25(2)3)24-20-10-6-9-19(23)15-20/h4-10,15,24H,11-14,16H2,1-3H3
InChIKeyNZDCLLBGVOOTEI-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.67
Rot. Bonds5

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

4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 155873984) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID155873984
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccccc1CN1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1
InChIInChI=1S/C22H28FN3O/c1-17-7-4-5-8-18(17)16-26-13-11-22(12-14-26,21(27)25(2)3)24-20-10-6-9-19(23)15-20/h4-10,15,24H,11-14,16H2,1-3H3
InChIKeyNZDCLLBGVOOTEI-UHFFFAOYSA-N
XLogP3.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871248
4-(3-fluoroanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide;formic acid
CID 171695910
4-anilino-1-[(2-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155878897
4-(3-fluoroanilino)-N,N-dimethyl-1-methylsulfonylpiperidine-4-carboxamide;formic acid
CID 155870942
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
2-[[4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carbonyl]-methylamino]acetic acid
CID 126697747
4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-methoxyanilino)-N,N-dimethyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155879928
4-(3-fluoroanilino)-N-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-4-carboxamide
CID 155872147
2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 30723158

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 155873984) is 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccccc1CN1CCC(Nc2cccc(F)c2)(C(=O)N(C)C)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NZDCLLBGVOOTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-17-7-4-5-8-18(17)16-26-13-11-22(12-14-26,21(27)25(2)3)24-20-10-6-9-19(23)15-20/h4-10,15,24H,11-14,16H2,1-3H3.
What are the key properties of 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N,N-dimethyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155873984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).