5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C17H21ClN4O3 — CID 72856586

IUPAC5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cc(Cl)c[nH]c2=O)CC1
InChIInChI=1S/C17H21ClN4O3/c1-25-9-8-21-7-4-19-15(21)12-2-5-22(6-3-12)17(24)14-10-13(18)11-20-16(14)23/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,20,23)
InChIKeyQMWYMHHNRYATCB-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.89
Rot. Bonds5

About 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 72856586) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID72856586
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCCn1ccnc1C1CCN(C(=O)c2cc(Cl)c[nH]c2=O)CC1
InChIInChI=1S/C17H21ClN4O3/c1-25-9-8-21-7-4-19-15(21)12-2-5-22(6-3-12)17(24)14-10-13(18)11-20-16(14)23/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,20,23)
InChIKeyQMWYMHHNRYATCB-UHFFFAOYSA-N
XLogP1.89
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 72851515
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882144
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
CID 72932343
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 72909280
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 72845310
[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone
CID 72847014
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655
6-fluoro-3-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-quinolin-4-one
CID 97276651
5-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 72912139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 72856586) is 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is COCCn1ccnc1C1CCN(C(=O)c2cc(Cl)c[nH]c2=O)CC1.
What is the InChIKey of 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is QMWYMHHNRYATCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-25-9-8-21-7-4-19-15(21)12-2-5-22(6-3-12)17(24)14-10-13(18)11-20-16(14)23/h4,7,10-12H,2-3,5-6,8-9H2,1H3,(H,20,23).
What are the key properties of 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 364.83 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 72856586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).