(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

C21H25N3O2 — CID 95708042

IUPAC(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCCC1
InChIInChI=1S/C21H25N3O2/c25-20(23-11-3-4-12-23)14-19-21(26)22-10-13-24(19)15-17-8-5-7-16-6-1-2-9-18(16)17/h1-2,5-9,19H,3-4,10-15H2,(H,22,26)/t19-/m1/s1
InChIKeyOGVHGUWUAWOVNP-LJQANCHMSA-N
MW351.45 g/mol
LogP2.15
Rot. Bonds4

About (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (PubChem CID 95708042) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
PubChem CID95708042
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESO=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCCC1
InChIInChI=1S/C21H25N3O2/c25-20(23-11-3-4-12-23)14-19-21(26)22-10-13-24(19)15-17-8-5-7-16-6-1-2-9-18(16)17/h1-2,5-9,19H,3-4,10-15H2,(H,22,26)/t19-/m1/s1
InChIKeyOGVHGUWUAWOVNP-LJQANCHMSA-N
XLogP2.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]-4-(naphthalen-1-ylmethyl)piperazin-2-one
CID 25386274
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
(3S)-4-(naphthalen-1-ylmethyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]piperazin-2-one
CID 25487210
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735
N-methyl-2-[1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887158
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
(3R)-3-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 25277529
N,N-diethyl-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95728099
N,N-bis(2-hydroxyethyl)-2-[(2R)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95714705
N-(3-hydroxypropyl)-2-[(2S)-1-(naphthalen-1-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 95711384
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The IUPAC name of (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (CID 95708042) is (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The canonical SMILES for (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is O=C1NCCN(Cc2cccc3ccccc23)[C@@H]1CC(=O)N1CCCC1.
What is the InChIKey of (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The InChIKey is OGVHGUWUAWOVNP-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(23-11-3-4-12-23)14-19-21(26)22-10-13-24(19)15-17-8-5-7-16-6-1-2-9-18(16)17/h1-2,5-9,19H,3-4,10-15H2,(H,22,26)/t19-/m1/s1.
What are the key properties of (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
(3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one has a molecular weight of 351.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 95708042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).