1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one

C19H27N3O2 — CID 138382467

IUPAC1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one
SMILESC=CCN1CCC[C@H]1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-3-9-21-10-4-5-17(21)19(24)22-12-7-15(8-13-22)16-6-11-20(2)18(23)14-16/h3,6,11,14-15,17H,1,4-5,7-10,12-13H2,2H3/t17-/m0/s1
InChIKeyCLRRRRALWVVHMK-KRWDZBQOSA-N
MW329.44 g/mol
LogP1.74
Rot. Bonds4

About 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one (PubChem CID 138382467) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one
PubChem CID138382467
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one
SMILESC=CCN1CCC[C@H]1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-3-9-21-10-4-5-17(21)19(24)22-12-7-15(8-13-22)16-6-11-20(2)18(23)14-16/h3,6,11,14-15,17H,1,4-5,7-10,12-13H2,2H3/t17-/m0/s1
InChIKeyCLRRRRALWVVHMK-KRWDZBQOSA-N
XLogP1.74
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one (CID 138382467) is 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one is C=CCN1CCC[C@H]1C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1.
What is the InChIKey of 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one?
The InChIKey is CLRRRRALWVVHMK-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-9-21-10-4-5-17(21)19(24)22-12-7-15(8-13-22)16-6-11-20(2)18(23)14-16/h3,6,11,14-15,17H,1,4-5,7-10,12-13H2,2H3/t17-/m0/s1.
What are the key properties of 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one has a molecular weight of 329.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 138382467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).