(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

C21H27FN4O2 — CID 95199974

IUPAC(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1nccn1CCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-2-19-23-10-12-25(19)11-4-9-24-21(28)17-7-8-20(27)26(15-17)14-16-5-3-6-18(22)13-16/h3,5-6,10,12-13,17H,2,4,7-9,11,14-15H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyWLCHDUXXRXFUAS-QGZVFWFLSA-N
MW386.47 g/mol
LogP2.53
Rot. Bonds8

About (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide

(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 95199974) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID95199974
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCCc1nccn1CCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1
InChIInChI=1S/C21H27FN4O2/c1-2-19-23-10-12-25(19)11-4-9-24-21(28)17-7-8-20(27)26(15-17)14-16-5-3-6-18(22)13-16/h3,5-6,10,12-13,17H,2,4,7-9,11,14-15H2,1H3,(H,24,28)/t17-/m1/s1
InChIKeyWLCHDUXXRXFUAS-QGZVFWFLSA-N
XLogP2.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-fluorophenyl)methyl]-N-(3-indol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 45194300
(3R)-N-(2-ethoxyethyl)-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42463392
(3S)-N-cyclopropyl-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 42193496
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-(3-imidazol-1-ylpropyl)-6-oxopiperidine-3-carboxamide
CID 42511476
(3S)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
CID 42528216
(3S)-N-(3-ethoxypropyl)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxamide
CID 25485620
(3R)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25371700
(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 42521558
N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 24816656
(3R)-N-[(1-ethylimidazol-2-yl)methyl]-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 42197532
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25308685
(3S)-1-[2-(3-fluorophenyl)ethyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-6-oxopiperidine-3-carboxamide
CID 25371045

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide (CID 95199974) is (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is CCc1nccn1CCCNC(=O)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1.
What is the InChIKey of (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is WLCHDUXXRXFUAS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-2-19-23-10-12-25(19)11-4-9-24-21(28)17-7-8-20(27)26(15-17)14-16-5-3-6-18(22)13-16/h3,5-6,10,12-13,17H,2,4,7-9,11,14-15H2,1H3,(H,24,28)/t17-/m1/s1.
What are the key properties of (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[3-(2-ethylimidazol-1-yl)propyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 95199974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).