(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide

C16H23FN4O2 — CID 166027296

IUPAC(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1C[C@H](N)C[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN4O2/c1-2-6-19-16(23)21-9-11(7-13(18)10-21)15(22)20-14-5-3-4-12(17)8-14/h3-5,8,11,13H,2,6-7,9-10,18H2,1H3,(H,19,23)(H,20,22)/t11-,13+/m0/s1
InChIKeyADBHPQKUXGAGGI-WCQYABFASA-N
MW322.38 g/mol
LogP1.53
Rot. Bonds4

About (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide

(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide (PubChem CID 166027296) has the molecular formula C16H23FN4O2 and a molecular weight of 322.38 g/mol. Its IUPAC name is (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
PubChem CID166027296
Molecular FormulaC16H23FN4O2
Molecular Weight322.38 g/mol
Exact Mass322.18
IUPAC Name(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1C[C@H](N)C[C@H](C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C16H23FN4O2/c1-2-6-19-16(23)21-9-11(7-13(18)10-21)15(22)20-14-5-3-4-12(17)8-14/h3-5,8,11,13H,2,6-7,9-10,18H2,1H3,(H,19,23)(H,20,22)/t11-,13+/m0/s1
InChIKeyADBHPQKUXGAGGI-WCQYABFASA-N
XLogP1.53
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(3-fluorophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130579
3-amino-N-(3-fluorophenyl)azetidine-1-carboxamide;hydrochloride
CID 139034966
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
3-[(3-aminocyclopentanecarbonyl)amino]-N-(3-fluorophenyl)benzamide
CID 119740416
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
ethyl 1-[(3-fluorophenyl)carbamoyl]piperidine-3-carboxylate
CID 44759797
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113008251
1-butan-2-yl-N-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182236
1-N-(4-acetamidophenyl)-4-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151103
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
(3S)-N-(3-fluorophenyl)-3-(methylamino)pyrrolidine-1-carboxamide
CID 172646365
4-N-(3-methylphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144346

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide (CID 166027296) is (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide is CCCNC(=O)N1C[C@H](N)C[C@H](C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
The InChIKey is ADBHPQKUXGAGGI-WCQYABFASA-N. The full InChI is InChI=1S/C16H23FN4O2/c1-2-6-19-16(23)21-9-11(7-13(18)10-21)15(22)20-14-5-3-4-12(17)8-14/h3-5,8,11,13H,2,6-7,9-10,18H2,1H3,(H,19,23)(H,20,22)/t11-,13+/m0/s1.
What are the key properties of (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide?
(3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide has a molecular weight of 322.38 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-amino-3-N-(3-fluorophenyl)-1-N-propylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 166027296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).