1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one

C22H29N5O4 — CID 171142280

IUPAC1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3C(=O)C(OCCOC)C3c3ccncc3)CC2)n1
InChIInChI=1S/C22H29N5O4/c1-3-26-13-8-18(24-26)21(28)25-11-6-17(7-12-25)27-19(16-4-9-23-10-5-16)20(22(27)29)31-15-14-30-2/h4-5,8-10,13,17,19-20H,3,6-7,11-12,14-15H2,1-2H3
InChIKeySHANHJMZJQPZIZ-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.52
Rot. Bonds8

About 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one

1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one (PubChem CID 171142280) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one
PubChem CID171142280
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one
SMILESCCn1ccc(C(=O)N2CCC(N3C(=O)C(OCCOC)C3c3ccncc3)CC2)n1
InChIInChI=1S/C22H29N5O4/c1-3-26-13-8-18(24-26)21(28)25-11-6-17(7-12-25)27-19(16-4-9-23-10-5-16)20(22(27)29)31-15-14-30-2/h4-5,8-10,13,17,19-20H,3,6-7,11-12,14-15H2,1-2H3
InChIKeySHANHJMZJQPZIZ-UHFFFAOYSA-N
XLogP1.52
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3-(2-methoxyethoxy)-1-(1-methylsulfonylpiperidin-4-yl)-4-pyridin-4-ylazetidin-2-one
CID 91911570
(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911528
(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911520
(1-ethylpyrazol-3-yl)-[(3S,4R)-3-(hydroxymethyl)-4-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 110202784
(3,5-dimethylpiperidin-1-yl)-(1-ethylpyrazol-3-yl)methanone
CID 56725198
(1-ethylpyrazol-3-yl)-(4-piperidin-4-ylpiperidin-1-yl)methanone;hydrochloride
CID 163333524
(1-ethylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 35763373
[(3R)-1-(1-ethylpyrazole-3-carbonyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 92633373
(1-ethylpyrazol-3-yl)-[4-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95823174
(1-ethylpyrazol-3-yl)-[4-[4-ethyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72908387
(1-ethylpyrazol-3-yl)-[4-[2-(2-fluorophenoxy)ethyl]piperidin-1-yl]methanone
CID 50846942
1'-(1-ethylpyrazole-3-carbonyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914358

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one (CID 171142280) is 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one is CCn1ccc(C(=O)N2CCC(N3C(=O)C(OCCOC)C3c3ccncc3)CC2)n1.
What is the InChIKey of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one?
The InChIKey is SHANHJMZJQPZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-3-26-13-8-18(24-26)21(28)25-11-6-17(7-12-25)27-19(16-4-9-23-10-5-16)20(22(27)29)31-15-14-30-2/h4-5,8-10,13,17,19-20H,3,6-7,11-12,14-15H2,1-2H3.
What are the key properties of 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one?
1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one has a molecular weight of 427.51 g/mol, XLogP of 1.52, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-3-(2-methoxyethoxy)-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 171142280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).