1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

C20H26N4O3 — CID 45236878

IUPAC1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCc2cnn(-c3ccccc3)c2)CCC1=O
InChIInChI=1S/C20H26N4O3/c1-27-12-11-23-15-17(7-8-19(23)25)20(26)21-10-9-16-13-22-24(14-16)18-5-3-2-4-6-18/h2-6,13-14,17H,7-12,15H2,1H3,(H,21,26)
InChIKeyKZXGVHGQWDNRGF-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.42
Rot. Bonds8

About 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (PubChem CID 45236878) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
PubChem CID45236878
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCc2cnn(-c3ccccc3)c2)CCC1=O
InChIInChI=1S/C20H26N4O3/c1-27-12-11-23-15-17(7-8-19(23)25)20(26)21-10-9-16-13-22-24(14-16)18-5-3-2-4-6-18/h2-6,13-14,17H,7-12,15H2,1H3,(H,21,26)
InChIKeyKZXGVHGQWDNRGF-UHFFFAOYSA-N
XLogP1.42
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
1-(2-methoxyphenyl)-5-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 55518874
(3S)-1-(2-methoxyethyl)-6-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-3-carboxamide
CID 25456602
(3S)-N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 26399073
N-[(1-benzylpiperidin-4-yl)methyl]-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
CID 45248237
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 42592382
2-(2-methoxyethylamino)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide;hydrochloride
CID 119700611
(3S)-1-(2-methoxyethyl)-6-oxo-N-[(4-phenyloxan-4-yl)methyl]piperidine-3-carboxamide
CID 26316413
1-(2-methoxyethyl)-6-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 56700684
(3S)-1-(2-methoxyethyl)-6-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 25378624
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide (CID 45236878) is 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is COCCN1CC(C(=O)NCCc2cnn(-c3ccccc3)c2)CCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is KZXGVHGQWDNRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-27-12-11-23-15-17(7-8-19(23)25)20(26)21-10-9-16-13-22-24(14-16)18-5-3-2-4-6-18/h2-6,13-14,17H,7-12,15H2,1H3,(H,21,26).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 1.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 45236878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).