(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C26H26FN3O3 — CID 97007159

IUPAC(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1
InChIInChI=1S/C26H26FN3O3/c1-18-7-4-10-21(15-18)28-26(32)30-14-6-8-19(17-30)25(31)29-23-12-2-3-13-24(23)33-22-11-5-9-20(27)16-22/h2-5,7,9-13,15-16,19H,6,8,14,17H2,1H3,(H,28,32)(H,29,31)/t19-/m0/s1
InChIKeyCOSYXTBQOWRANO-IBGZPJMESA-N
MW447.51 g/mol
LogP5.81
Rot. Bonds5

About (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 97007159) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID97007159
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC Name(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1
InChIInChI=1S/C26H26FN3O3/c1-18-7-4-10-21(15-18)28-26(32)30-14-6-8-19(17-30)25(31)29-23-12-2-3-13-24(23)33-22-11-5-9-20(27)16-22/h2-5,7,9-13,15-16,19H,6,8,14,17H2,1H3,(H,28,32)(H,29,31)/t19-/m0/s1
InChIKeyCOSYXTBQOWRANO-IBGZPJMESA-N
XLogP5.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.51
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-N-(3-methylphenyl)-4-N-(2-phenoxyphenyl)piperidine-1,4-dicarboxamide
CID 60541262
3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817620
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
(3R)-1-N-(3-methylphenyl)-3-N-(2-methyl-4-pyrrolidin-1-ylphenyl)piperidine-1,3-dicarboxamide
CID 51962441
methyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 78924438
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 97007159) is (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1.
What is the InChIKey of (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is COSYXTBQOWRANO-IBGZPJMESA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-18-7-4-10-21(15-18)28-26(32)30-14-6-8-19(17-30)25(31)29-23-12-2-3-13-24(23)33-22-11-5-9-20(27)16-22/h2-5,7,9-13,15-16,19H,6,8,14,17H2,1H3,(H,28,32)(H,29,31)/t19-/m0/s1.
What are the key properties of (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
(3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 447.51 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[2-(3-fluorophenoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97007159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).