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

C20H22FN3O2 — CID 51686692

IUPAC(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3O2/c21-17-8-10-18(11-9-17)23-20(26)24-12-4-7-16(14-24)19(25)22-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14H2,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyIYLQBYPMYQSZEE-MRXNPFEDSA-N
MW355.41 g/mol
LogP3.39
Rot. Bonds4

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

(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 51686692) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID51686692
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H22FN3O2/c21-17-8-10-18(11-9-17)23-20(26)24-12-4-7-16(14-24)19(25)22-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14H2,(H,22,25)(H,23,26)/t16-/m1/s1
InChIKeyIYLQBYPMYQSZEE-MRXNPFEDSA-N
XLogP3.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.39
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
(3S)-3-N-[(4-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51687287
2-N-benzyl-1-N,4-N-bis(4-fluorophenyl)piperazine-1,2,4-tricarboxamide
CID 134085419
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
5-[(3S)-3-[(4-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890696
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
(3S)-3-[[(4-fluorobenzoyl)amino]carbamoyl]-N-phenylpiperidine-1-carboxamide
CID 8870757

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (CID 51686692) is (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is IYLQBYPMYQSZEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22FN3O2/c21-17-8-10-18(11-9-17)23-20(26)24-12-4-7-16(14-24)19(25)22-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,16H,4,7,12-14H2,(H,22,25)(H,23,26)/t16-/m1/s1.
What are the key properties of (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 355.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51686692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).