(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C24H24N4O2 — CID 9318939

IUPAC(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O2/c29-23-16-19(17-28(23)21-9-5-7-18-6-1-2-8-20(18)21)24(30)27-14-12-26(13-15-27)22-10-3-4-11-25-22/h1-11,19H,12-17H2/t19-/m0/s1
InChIKeyGEPXUTDGUNEXDG-IBGZPJMESA-N
MW400.48 g/mol
LogP2.94
Rot. Bonds3

About (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 9318939) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID9318939
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESO=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O2/c29-23-16-19(17-28(23)21-9-5-7-18-6-1-2-8-20(18)21)24(30)27-14-12-26(13-15-27)22-10-3-4-11-25-22/h1-11,19H,12-17H2/t19-/m0/s1
InChIKeyGEPXUTDGUNEXDG-IBGZPJMESA-N
XLogP2.94
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191766
3-[2-oxo-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]benzonitrile
CID 113191911
4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one
CID 111694889
4-[4-(methylamino)piperidine-1-carbonyl]-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119560343
1-(2-phenylethyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 51143749
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-naphthalen-1-ylpyrrolidin-2-one;hydrochloride
CID 119635548
ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113190556
3-(4-pyridin-2-ylpiperazine-1-carbonyl)-3,4-dihydro-2H-naphthalen-1-one
CID 110677769
(4R)-1-(2-fluorophenyl)-4-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 31203885
1-[2-(2-fluorophenyl)ethyl]-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 113184235
1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46545515
(4S)-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 8548976

Frequently Asked Questions

What is the IUPAC name of (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 9318939) is (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is GEPXUTDGUNEXDG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24N4O2/c29-23-16-19(17-28(23)21-9-5-7-18-6-1-2-8-20(18)21)24(30)27-14-12-26(13-15-27)22-10-3-4-11-25-22/h1-11,19H,12-17H2/t19-/m0/s1.
What are the key properties of (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
(4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 400.48 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-naphthalen-1-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 9318939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).