1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

C18H23N3O3 — CID 50972094

IUPAC1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCC(Oc3ccncc3)CC2)CC1=O
InChIInChI=1S/C18H23N3O3/c1-2-9-21-13-14(12-17(21)22)18(23)20-10-5-16(6-11-20)24-15-3-7-19-8-4-15/h2-4,7-8,14,16H,1,5-6,9-13H2
InChIKeyUCOJXRCBECYVOI-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.49
Rot. Bonds5

About 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one

1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 50972094) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
PubChem CID50972094
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
SMILESC=CCN1CC(C(=O)N2CCC(Oc3ccncc3)CC2)CC1=O
InChIInChI=1S/C18H23N3O3/c1-2-9-21-13-14(12-17(21)22)18(23)20-10-5-16(6-11-20)24-15-3-7-19-8-4-15/h2-4,7-8,14,16H,1,5-6,9-13H2
InChIKeyUCOJXRCBECYVOI-UHFFFAOYSA-N
XLogP1.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 97141344
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 131903203
(4R)-1-ethyl-4-[4-[(3-methyl-4-pyridinyl)oxy]piperidine-1-carbonyl]pyrrolidin-2-one
CID 125139087
cyclobutyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617078
cyclopentyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617330
cyclohexyl-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90617385
N-[(4-fluorophenyl)methyl]-3-[1-(5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 45190480
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
(4S)-1-(pyridin-4-ylmethyl)-4-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97281518
4-(3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 131946642
2-cyclopropyl-9-[(3R)-5-oxo-1-prop-2-enylpyrrolidine-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97128373
4-(4-pyridin-4-yloxypiperidine-1-carbonyl)-1-oxaspiro[4.4]nonan-2-one
CID 118788436

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one (CID 50972094) is 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is C=CCN1CC(C(=O)N2CCC(Oc3ccncc3)CC2)CC1=O.
What is the InChIKey of 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is UCOJXRCBECYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-9-21-13-14(12-17(21)22)18(23)20-10-5-16(6-11-20)24-15-3-7-19-8-4-15/h2-4,7-8,14,16H,1,5-6,9-13H2.
What are the key properties of 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one?
1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(4-pyridin-4-yloxypiperidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 50972094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).