1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

C21H26N2O — CID 56864864

IUPAC1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccc2ccccc2c1CN1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H26N2O/c1-16-8-9-17-5-2-3-6-19(17)20(16)15-22-13-10-18(11-14-22)23-12-4-7-21(23)24/h2-3,5-6,8-9,18H,4,7,10-15H2,1H3
InChIKeyLCRKMDQAVSOTGL-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.74
Rot. Bonds3

About 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 56864864) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID56864864
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1ccc2ccccc2c1CN1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C21H26N2O/c1-16-8-9-17-5-2-3-6-19(17)20(16)15-22-13-10-18(11-14-22)23-12-4-7-21(23)24/h2-3,5-6,8-9,18H,4,7,10-15H2,1H3
InChIKeyLCRKMDQAVSOTGL-UHFFFAOYSA-N
XLogP3.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659185
N-[(3-Fluorophenyl)methyl]-1-[(1r)-1-Naphthalen-1-Ylethyl]piperidine-4-Carboxamide
CID 73659186
N-(naphthalen-2-ylmethyl)-N-(piperidin-4-yl)propionamide
CID 11616357
1-(2-Naphthylmethyl)-3-piperidinecarboxamide
CID 2845493
N-(9-anthrylmethyl)-1-cyclooctyl-N-methyl-5-oxo-pyrrolidine-3-carboxamide
CID 16072550
N-(9-anthrylmethyl)-1-cycloheptyl-N-methyl-5-oxo-pyrrolidine-3-carboxamide
CID 16072552
N-(9-anthrylmethyl)-1-cyclohexyl-N-methyl-5-oxo-pyrrolidine-3-carboxamide
CID 16072553
N-(anthracen-9-ylmethyl)-1-{bicyclo[2.2.1]heptan-2-yl}-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 23647180
N-(piperidin-4-yl)-N-propyl-2-naphthamide
CID 45487772
1-((S)-2-Pyrrolidin-1-ylmethyl-piperidin-1-yl)-2-(5,6,7,8-tetrahydro-naphthalen-2-yl)-ethanone
CID 9997379
3-Methyl-1-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]butan-1-one
CID 773342
(4-Methylpiperidin-1-yl)-naphthalen-2-ylmethanone
CID 883764

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one (CID 56864864) is 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is Cc1ccc2ccccc2c1CN1CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is LCRKMDQAVSOTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16-8-9-17-5-2-3-6-19(17)20(16)15-22-13-10-18(11-14-22)23-12-4-7-21(23)24/h2-3,5-6,8-9,18H,4,7,10-15H2,1H3.
What are the key properties of 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 322.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylnaphthalen-1-yl)methyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 56864864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).