5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C26H27N3O2 — CID 166364848

IUPAC5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc2)N1
InChIInChI=1S/C26H27N3O2/c30-25-13-12-24(27-25)20-8-10-21(11-9-20)26(31)29-16-14-28(15-17-29)18-22-6-3-5-19-4-1-2-7-23(19)22/h1-11,24H,12-18H2,(H,27,30)
InChIKeyMVDCSFLKAKFXSH-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.75
Rot. Bonds4

About 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 166364848) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID166364848
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C1CCC(c2ccc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc2)N1
InChIInChI=1S/C26H27N3O2/c30-25-13-12-24(27-25)20-8-10-21(11-9-20)26(31)29-16-14-28(15-17-29)18-22-6-3-5-19-4-1-2-7-23(19)22/h1-11,24H,12-18H2,(H,27,30)
InChIKeyMVDCSFLKAKFXSH-UHFFFAOYSA-N
XLogP3.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-difluorophenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9397599
2-methyl-5-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 37210584
7-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]-4H-1,4-benzoxazin-3-one
CID 26419995
(2,6-dimethoxyphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 1112837
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-pyridin-3-ylmethanone;oxalic acid
CID 17366428
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
4-(5-oxopyrrolidin-2-yl)benzoic acid
CID 126804612
[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 796405
[3-(methylsulfanylmethyl)phenyl]-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 9398005
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 166364848) is 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C1CCC(c2ccc(C(=O)N3CCN(Cc4cccc5ccccc45)CC3)cc2)N1.
What is the InChIKey of 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is MVDCSFLKAKFXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-25-13-12-24(27-25)20-8-10-21(11-9-20)26(31)29-16-14-28(15-17-29)18-22-6-3-5-19-4-1-2-7-23(19)22/h1-11,24H,12-18H2,(H,27,30).
What are the key properties of 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 413.52 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166364848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).