2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone

C17H20N2O — CID 28568569

IUPAC2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C17H20N2O/c20-17(19-11-4-1-5-12-19)13-18-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,18H,1,4-5,11-13H2
InChIKeyXSNDCJAFAKEYRB-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.26
Rot. Bonds3

About 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone

2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone (PubChem CID 28568569) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
PubChem CID28568569
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone
SMILESO=C(CNc1cccc2ccccc12)N1CCCCC1
InChIInChI=1S/C17H20N2O/c20-17(19-11-4-1-5-12-19)13-18-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,18H,1,4-5,11-13H2
InChIKeyXSNDCJAFAKEYRB-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-tert-butylanilino)-1-piperidin-1-ylethanone
CID 60685891
2-[(2-oxo-2-piperidin-1-ylethyl)amino]benzonitrile
CID 28580921
1-(azepan-1-yl)-2-[2-(dimethylamino)anilino]ethanone
CID 106759777
1-(azepan-1-yl)-2-[2-(difluoromethoxy)anilino]ethanone
CID 43217745
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
N-[2-(azepan-1-yl)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7964073
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
1-[(2R)-2-methylmorpholin-4-yl]-2-(naphthalen-1-ylamino)ethanone
CID 94532818
N-naphthalen-1-yl-4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carboxamide
CID 17465723
2-[2-(difluoromethoxy)anilino]-1-pyrrolidin-1-ylethanone
CID 43217747
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
N-naphthalen-1-yl-4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carboxamide
CID 17445165

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone (CID 28568569) is 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone is O=C(CNc1cccc2ccccc12)N1CCCCC1.
What is the InChIKey of 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone?
The InChIKey is XSNDCJAFAKEYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(19-11-4-1-5-12-19)13-18-16-10-6-8-14-7-2-3-9-15(14)16/h2-3,6-10,18H,1,4-5,11-13H2.
What are the key properties of 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone?
2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone has a molecular weight of 268.36 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylamino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 28568569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).