(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide

C21H24FN3O2 — CID 95088079

IUPAC(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O2/c1-21(19(26)23-14-16-6-3-2-4-7-16)12-5-13-25(15-21)20(27)24-18-10-8-17(22)9-11-18/h2-4,6-11H,5,12-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyZPFMMNPTYYPBOO-NRFANRHFSA-N
MW369.44 g/mol
LogP3.78
Rot. Bonds4

About (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide

(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 95088079) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
PubChem CID95088079
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O2/c1-21(19(26)23-14-16-6-3-2-4-7-16)12-5-13-25(15-21)20(27)24-18-10-8-17(22)9-11-18/h2-4,6-11H,5,12-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyZPFMMNPTYYPBOO-NRFANRHFSA-N
XLogP3.78
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3S)-1-N-(3-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087875
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117301
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088047
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
(3R)-1-N-(2,3-dimethylphenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087885
(3R)-3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95087786
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide (CID 95088079) is (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide is C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is ZPFMMNPTYYPBOO-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-21(19(26)23-14-16-6-3-2-4-7-16)12-5-13-25(15-21)20(27)24-18-10-8-17(22)9-11-18/h2-4,6-11H,5,12-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1.
What are the key properties of (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide has a molecular weight of 369.44 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95088079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).