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

C21H24FN3O2 — CID 95088103

IUPAC(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-21(19(26)23-14-16-7-3-2-4-8-16)11-6-12-25(15-21)20(27)24-18-10-5-9-17(22)13-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyUHMTZDMIHHGVRG-NRFANRHFSA-N
MW369.44 g/mol
LogP3.78
Rot. Bonds4

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

(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide (PubChem CID 95088103) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
PubChem CID95088103
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
SMILESC[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C21H24FN3O2/c1-21(19(26)23-14-16-7-3-2-4-8-16)11-6-12-25(15-21)20(27)24-18-10-5-9-17(22)13-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1
InChIKeyUHMTZDMIHHGVRG-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

(3S)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088079
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088080
(3S)-1-N-(3-chlorophenyl)-3-N-[(4-fluorophenyl)methyl]-3-methylpiperidine-1,3-dicarboxamide
CID 95087875
3-N-[(4-fluorophenyl)methyl]-1-N-(3-methoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 53117302
(3R)-N-benzyl-1-(3-fluorobenzoyl)-3-methylpiperidine-3-carboxamide
CID 95087628
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
(3S)-3-N-benzyl-1-N-(3,4-dimethoxyphenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088047
(3R)-3-N-[(3-methoxyphenyl)methyl]-3-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95087786
N-[(3-fluorophenyl)methyl]-3-methyl-1-(2-phenylsulfanylacetyl)piperidine-3-carboxamide
CID 53011180
(3S)-3-N-benzyl-1-N-(2-bromophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088063
(3R)-N-benzyl-1-[2-(4-fluorophenyl)acetyl]-3-methylpiperidine-3-carboxamide
CID 95087574
1-(4-fluorobenzoyl)-N-[(3-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117206

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide (CID 95088103) is (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide is C[C@]1(C(=O)NCc2ccccc2)CCCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
The InChIKey is UHMTZDMIHHGVRG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-21(19(26)23-14-16-7-3-2-4-8-16)11-6-12-25(15-21)20(27)24-18-10-5-9-17(22)13-18/h2-5,7-10,13H,6,11-12,14-15H2,1H3,(H,23,26)(H,24,27)/t21-/m0/s1.
What are the key properties of (3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide?
(3S)-3-N-benzyl-1-N-(3-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-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95088103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).