4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H27FN4O — CID 155878721

IUPAC4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H27FN4O/c1-16(2)24-20(27)21(25-18-8-5-6-17(22)14-18)9-12-26(13-10-21)15-19-7-3-4-11-23-19/h3-8,11,14,16,25H,9-10,12-13,15H2,1-2H3,(H,24,27)
InChIKeyZPPDHNVRKWDZCD-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.19
Rot. Bonds6

About 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide

4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 155878721) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID155878721
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccn2)CC1
InChIInChI=1S/C21H27FN4O/c1-16(2)24-20(27)21(25-18-8-5-6-17(22)14-18)9-12-26(13-10-21)15-19-7-3-4-11-23-19/h3-8,11,14,16,25H,9-10,12-13,15H2,1-2H3,(H,24,27)
InChIKeyZPPDHNVRKWDZCD-UHFFFAOYSA-N
XLogP3.19
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoroanilino)-N-methyl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 155874149
4-(3-fluoroanilino)-1-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 155878797
4-(3-fluoroanilino)-N-propan-2-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide;formic acid
CID 155878709
4-anilino-1-[(4-fluorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155874133
1-(2-ethoxyacetyl)-4-(3-fluoroanilino)-N-propan-2-ylpiperidine-4-carboxamide
CID 155879755
4-(3-fluoroanilino)-N-propan-2-yl-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxamide
CID 155879747
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
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-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 155871466
N-propan-2-yl-1-(pyridin-2-ylmethyl)-4-[(3-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 95805760
4-(3-fluoroanilino)-N-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871260
3-(3-fluoroanilino)-N-methyl-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155875888

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 155878721) is 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CC(C)NC(=O)C1(Nc2cccc(F)c2)CCN(Cc2ccccn2)CC1.
What is the InChIKey of 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZPPDHNVRKWDZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-16(2)24-20(27)21(25-18-8-5-6-17(22)14-18)9-12-26(13-10-21)15-19-7-3-4-11-23-19/h3-8,11,14,16,25H,9-10,12-13,15H2,1-2H3,(H,24,27).
What are the key properties of 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 370.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroanilino)-N-propan-2-yl-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155878721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).