1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide

C16H22FN3O3 — CID 138029688

IUPAC1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide
SMILESCC[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)c1ccccc1F
InChIInChI=1S/C16H22FN3O3/c1-2-13(11-5-3-4-6-12(11)17)19-15(22)20-9-7-16(23,8-10-20)14(18)21/h3-6,13,23H,2,7-10H2,1H3,(H2,18,21)(H,19,22)/t13-/m0/s1
InChIKeyKNQAOCLMXWTJNS-ZDUSSCGKSA-N
MW323.37 g/mol
LogP1.30
Rot. Bonds4

About 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide

1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide (PubChem CID 138029688) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide
PubChem CID138029688
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide
SMILESCC[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)c1ccccc1F
InChIInChI=1S/C16H22FN3O3/c1-2-13(11-5-3-4-6-12(11)17)19-15(22)20-9-7-16(23,8-10-20)14(18)21/h3-6,13,23H,2,7-10H2,1H3,(H2,18,21)(H,19,22)/t13-/m0/s1
InChIKeyKNQAOCLMXWTJNS-ZDUSSCGKSA-N
XLogP1.30
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide (CID 138029688) is 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide is CC[C@H](NC(=O)N1CCC(O)(C(N)=O)CC1)c1ccccc1F.
What is the InChIKey of 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide?
The InChIKey is KNQAOCLMXWTJNS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-2-13(11-5-3-4-6-12(11)17)19-15(22)20-9-7-16(23,8-10-20)14(18)21/h3-6,13,23H,2,7-10H2,1H3,(H2,18,21)(H,19,22)/t13-/m0/s1.
What are the key properties of 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide?
1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide has a molecular weight of 323.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1S)-1-(2-fluorophenyl)propyl]-4-hydroxypiperidine-1,4-dicarboxamide is sourced from PubChem (CID 138029688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).