4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

C22H28FN3O — CID 155874133

IUPAC4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O/c1-17(2)24-21(27)22(25-20-6-4-3-5-7-20)12-14-26(15-13-22)16-18-8-10-19(23)11-9-18/h3-11,17,25H,12-16H2,1-2H3,(H,24,27)
InChIKeyVEFVJJFFRKUQIA-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.80
Rot. Bonds6

About 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide

4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 155874133) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID155874133
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H28FN3O/c1-17(2)24-21(27)22(25-20-6-4-3-5-7-20)12-14-26(15-13-22)16-18-8-10-19(23)11-9-18/h3-11,17,25H,12-16H2,1-2H3,(H,24,27)
InChIKeyVEFVJJFFRKUQIA-UHFFFAOYSA-N
XLogP3.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155878721
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
1-[(4-fluorophenyl)methyl]-4-(3-methoxyanilino)-N-methylpiperidine-4-carboxamide
CID 155879440
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
[4-anilino-1-(pyridin-4-ylmethyl)piperidin-4-yl]-(azetidin-1-yl)methanone
CID 155878699
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
CID 155879755
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
4-(4-fluorophenyl)-1-[[4-(4-fluorophenyl)phenyl]methyl]-N'-phenylpiperidine-4-carbohydrazide
CID 90830849
4-(3-fluoroanilino)-N-propan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;formic acid
CID 155878709
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888

Frequently Asked Questions

What is the IUPAC name of 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide (CID 155874133) is 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1(Nc2ccccc2)CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is VEFVJJFFRKUQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-17(2)24-21(27)22(25-20-6-4-3-5-7-20)12-14-26(15-13-22)16-18-8-10-19(23)11-9-18/h3-11,17,25H,12-16H2,1-2H3,(H,24,27).
What are the key properties of 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide?
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155874133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).