4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one

C16H23N3O — CID 64590686

IUPAC4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H23N3O/c17-14-9-16(20)19(11-14)15-7-4-8-18(12-15)10-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,17H2
InChIKeyWEWTZQNLUKRQJL-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.21
Rot. Bonds3

About 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one

4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one (PubChem CID 64590686) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
PubChem CID64590686
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one
SMILESNC1CC(=O)N(C2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C16H23N3O/c17-14-9-16(20)19(11-14)15-7-4-8-18(12-15)10-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,17H2
InChIKeyWEWTZQNLUKRQJL-UHFFFAOYSA-N
XLogP1.21
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-benzylpiperidin-3-yl]-4-(bromomethyl)pyrrolidin-2-one
CID 168503517
[1-[(3R)-1-benzylpiperidin-3-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680507
1-[(3R)-1-benzylpiperidin-3-yl]-4-ethenylpyrrolidin-2-one
CID 168683832
1-(1-benzylpyrrolidin-3-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168661797
1-(1-benzylpyrrolidin-3-yl)-4-sulfanylpyrrolidin-2-one
CID 168707846
1-(1-benzylpiperidin-3-yl)imidazolidin-2-one
CID 78980069
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
1-(1-benzylpyrrolidin-3-yl)piperidin-3-amine
CID 61296822
(1-benzylazepan-3-yl)methanamine
CID 15718476
2-benzyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-8-amine
CID 82384775
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one (CID 64590686) is 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one is NC1CC(=O)N(C2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one?
The InChIKey is WEWTZQNLUKRQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-14-9-16(20)19(11-14)15-7-4-8-18(12-15)10-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12,17H2.
What are the key properties of 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one?
4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-benzylpiperidin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 64590686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).