1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one

C16H22N2O — CID 64654083

IUPAC1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
SMILESCN1CC(NC2CCCc3ccccc32)CCC1=O
InChIInChI=1S/C16H22N2O/c1-18-11-13(9-10-16(18)19)17-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3
InChIKeyVPWFWBIHDULBIN-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.27
Rot. Bonds2

About 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one

1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one (PubChem CID 64654083) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
PubChem CID64654083
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one
SMILESCN1CC(NC2CCCc3ccccc32)CCC1=O
InChIInChI=1S/C16H22N2O/c1-18-11-13(9-10-16(18)19)17-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3
InChIKeyVPWFWBIHDULBIN-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-1-methylpiperidin-2-one
CID 82690207
5-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-1-methylpiperidin-2-one
CID 79742063
N-cyclohexyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43080330
5-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 81140242
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
5-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-1-methylpiperidin-2-one
CID 64654307
N-cyclohexyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43094582
N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64731805
N-(3,3,5,5-tetramethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115998636
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-dithiepan-6-amine
CID 131929126
N-(4-propan-2-ylcycloheptyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65087328
N-cyclopent-3-en-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 115695313

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one (CID 64654083) is 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one is CN1CC(NC2CCCc3ccccc32)CCC1=O.
What is the InChIKey of 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one?
The InChIKey is VPWFWBIHDULBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-11-13(9-10-16(18)19)17-15-8-4-6-12-5-2-3-7-14(12)15/h2-3,5,7,13,15,17H,4,6,8-11H2,1H3.
What are the key properties of 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one?
1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)piperidin-2-one is sourced from PubChem (CID 64654083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).