(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

C20H24N2O3 — CID 94208971

IUPAC(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2=CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-25-18-6-2-14(3-7-18)15-8-10-21(11-9-15)20(24)16-12-19(23)22(13-16)17-4-5-17/h2-3,6-8,16-17H,4-5,9-13H2,1H3/t16-/m0/s1
InChIKeyIFKCOQIQXWJGMH-INIZCTEOSA-N
MW340.42 g/mol
LogP2.32
Rot. Bonds4

About (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (PubChem CID 94208971) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
PubChem CID94208971
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESCOc1ccc(C2=CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1
InChIInChI=1S/C20H24N2O3/c1-25-18-6-2-14(3-7-18)15-8-10-21(11-9-15)20(24)16-12-19(23)22(13-16)17-4-5-17/h2-3,6-8,16-17H,4-5,9-13H2,1H3/t16-/m0/s1
InChIKeyIFKCOQIQXWJGMH-INIZCTEOSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1-methylpiperidin-2-one
CID 94208887
1-[4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidin-1-yl]ethanone
CID 56813543
1-cyclopropyl-4-[4-[3-(4-methoxyphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 48873833
1-cycloheptyl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113185530
(4-aminocyclohexyl)-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 172894832
(4R)-1-cyclopropyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 94018225
(4R)-1-cyclopropyl-4-[(2S)-2-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 94620798
1-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 142929013
1-cyclopropyl-N-[(4-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42917812
(4S)-1-cyclopropyl-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 92594763
1-cyclopentyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 55359834
(4S)-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 42497316

Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (CID 94208971) is (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is COc1ccc(C2=CCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)CC2)cc1.
What is the InChIKey of (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is IFKCOQIQXWJGMH-INIZCTEOSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-18-6-2-14(3-7-18)15-8-10-21(11-9-15)20(24)16-12-19(23)22(13-16)17-4-5-17/h2-3,6-8,16-17H,4-5,9-13H2,1H3/t16-/m0/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 340.42 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[4-(4-methoxyphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 94208971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).