(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone

C17H19NO — CID 4284306

IUPAC(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H19NO/c1-13-6-5-11-18(12-13)17(19)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyFXEYREUKSBZEDG-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.71
Rot. Bonds1

About (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone

(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone (PubChem CID 4284306) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
PubChem CID4284306
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
SMILESCC1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C17H19NO/c1-13-6-5-11-18(12-13)17(19)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyFXEYREUKSBZEDG-UHFFFAOYSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
(2,3-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78783803
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone (CID 4284306) is (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone is CC1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is FXEYREUKSBZEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-13-6-5-11-18(12-13)17(19)16-10-4-8-14-7-2-3-9-15(14)16/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone?
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 253.35 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 4284306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).