(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

C21H24FN3O2 — CID 51686700

IUPAC(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O2/c1-2-15-6-3-4-8-19(15)24-20(26)16-7-5-13-25(14-16)21(27)23-18-11-9-17(22)10-12-18/h3-4,6,8-12,16H,2,5,7,13-14H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyDGCVAXIAXLGJAN-MRXNPFEDSA-N
MW369.44 g/mol
LogP4.27
Rot. Bonds4

About (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 51686700) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID51686700
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C21H24FN3O2/c1-2-15-6-3-4-8-19(15)24-20(26)16-7-5-13-25(14-16)21(27)23-18-11-9-17(22)10-12-18/h3-4,6,8-12,16H,2,5,7,13-14H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1
InChIKeyDGCVAXIAXLGJAN-MRXNPFEDSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3S)-3-N-[(2R)-butan-2-yl]-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7435345
3-N-[2-(ethylaminomethyl)phenyl]-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide
CID 119439381
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
tert-butyl (3S)-3-[(2-ethylphenyl)carbamoyl]piperidine-1-carboxylate
CID 31263103
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
5-[1-[(2-ethylphenyl)carbamoyl]piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46375778
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (CID 51686700) is (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is CCc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is DGCVAXIAXLGJAN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-2-15-6-3-4-8-19(15)24-20(26)16-7-5-13-25(14-16)21(27)23-18-11-9-17(22)10-12-18/h3-4,6,8-12,16H,2,5,7,13-14H2,1H3,(H,23,27)(H,24,26)/t16-/m1/s1.
What are the key properties of (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
(3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 369.44 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-(2-ethylphenyl)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51686700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).