(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

C21H24FN3O3 — CID 51552826

IUPAC(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1
InChIInChI=1S/C21H24FN3O3/c1-28-18-10-8-17(9-11-18)24-21(27)25-12-4-6-16(14-25)20(26)23-13-15-5-2-3-7-19(15)22/h2-3,5,7-11,16H,4,6,12-14H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyONSSHYUHMNQJNQ-INIZCTEOSA-N
MW385.44 g/mol
LogP3.39
Rot. Bonds5

About (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 51552826) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID51552826
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1
InChIInChI=1S/C21H24FN3O3/c1-28-18-10-8-17(9-11-18)24-21(27)25-12-4-6-16(14-25)20(26)23-13-15-5-2-3-7-19(15)22/h2-3,5,7-11,16H,4,6,12-14H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1
InChIKeyONSSHYUHMNQJNQ-INIZCTEOSA-N
XLogP3.39
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-N-(4-methoxyphenyl)-3-N-[(4-methoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 51508259
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9083501
3-N-[(2-fluorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42959130
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
1-N-(4-methoxyphenyl)-3-N-(3-methoxypropyl)piperidine-1,3-dicarboxamide
CID 650630
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
5-[4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 46330679
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9074260
5-[(3S)-3-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carbonyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 92890720
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 51552826) is (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is COc1ccc(NC(=O)N2CCC[C@H](C(=O)NCc3ccccc3F)C2)cc1.
What is the InChIKey of (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is ONSSHYUHMNQJNQ-INIZCTEOSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-28-18-10-8-17(9-11-18)24-21(27)25-12-4-6-16(14-25)20(26)23-13-15-5-2-3-7-19(15)22/h2-3,5,7-11,16H,4,6,12-14H2,1H3,(H,23,26)(H,24,27)/t16-/m0/s1.
What are the key properties of (3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 385.44 g/mol, XLogP of 3.39, 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-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51552826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).