(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

C19H23FN4O2 — CID 42528216

IUPAC(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O2/c20-17-4-1-3-15(13-17)7-11-23-14-16(5-6-18(23)25)19(26)21-9-12-24-10-2-8-22-24/h1-4,8,10,13,16H,5-7,9,11-12,14H2,(H,21,26)/t16-/m0/s1
InChIKeyCEJYBYLKVQIGSZ-INIZCTEOSA-N
MW358.42 g/mol
LogP1.62
Rot. Bonds7

About (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 42528216) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID42528216
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1
InChIInChI=1S/C19H23FN4O2/c20-17-4-1-3-15(13-17)7-11-23-14-16(5-6-18(23)25)19(26)21-9-12-24-10-2-8-22-24/h1-4,8,10,13,16H,5-7,9,11-12,14H2,(H,21,26)/t16-/m0/s1
InChIKeyCEJYBYLKVQIGSZ-INIZCTEOSA-N
XLogP1.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 24818961
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-(3-imidazol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 42511476
(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 42521558
(3S)-N-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25485620
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 24791193
ethyl 3-[[(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]amino]propanoate
CID 26410547
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 42516631
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 25311516
(3R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25492042
1-[2-(3-fluorophenyl)ethyl]-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-6-oxopiperidine-3-carboxamide
CID 24793025

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (CID 42528216) is (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is O=C(NCCn1cccn1)[C@H]1CCC(=O)N(CCc2cccc(F)c2)C1.
What is the InChIKey of (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is CEJYBYLKVQIGSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-17-4-1-3-15(13-17)7-11-23-14-16(5-6-18(23)25)19(26)21-9-12-24-10-2-8-22-24/h1-4,8,10,13,16H,5-7,9,11-12,14H2,(H,21,26)/t16-/m0/s1.
What are the key properties of (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42528216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).