3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one

C21H27N3O2 — CID 56718060

IUPAC3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=C1CCCN1CCC1CCCCN1Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H27N3O2/c25-20-9-5-12-23(20)13-10-18-7-3-4-11-24(18)15-17-14-16-6-1-2-8-19(16)22-21(17)26/h1-2,6,8,14,18H,3-5,7,9-13,15H2,(H,22,26)
InChIKeyIRRTVOKSTZCQFU-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.90
Rot. Bonds5

About 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one

3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one (PubChem CID 56718060) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
PubChem CID56718060
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one
SMILESO=C1CCCN1CCC1CCCCN1Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C21H27N3O2/c25-20-9-5-12-23(20)13-10-18-7-3-4-11-24(18)15-17-14-16-6-1-2-8-19(16)22-21(17)26/h1-2,6,8,14,18H,3-5,7,9-13,15H2,(H,22,26)
InChIKeyIRRTVOKSTZCQFU-UHFFFAOYSA-N
XLogP2.90
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 56908889
1-[2-[(2S)-1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 95718632
3-[[(2R)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 95712896
3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 128967624
3-[[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-quinolin-2-one
CID 129473497
3-[1-[2-(2-oxo-1H-quinolin-3-yl)acetyl]piperidin-2-yl]propanoic acid
CID 126790396
1-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70783740
1-[2-[1-[(3-methyl-1-benzofuran-2-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 46967217
1-[2-(1H-indol-2-yl)ethyl]piperidin-2-one
CID 14090373
1-[2-[1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 91833990
3-[[2-(methoxymethyl)piperidin-1-yl]methyl]-7-methyl-1H-quinolin-2-one
CID 56721682
1-[2-[(2S)-1-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124752546

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one (CID 56718060) is 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one is O=C1CCCN1CCC1CCCCN1Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
The InChIKey is IRRTVOKSTZCQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20-9-5-12-23(20)13-10-18-7-3-4-11-24(18)15-17-14-16-6-1-2-8-19(16)22-21(17)26/h1-2,6,8,14,18H,3-5,7,9-13,15H2,(H,22,26).
What are the key properties of 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one?
3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one has a molecular weight of 353.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56718060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).