(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone

C22H28N2O2 — CID 177314157

IUPAC(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(C4CCCNC4)C3)ccc2c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-8-16-12-18(7-6-17(16)13-21)22(25)19-4-3-11-24(15-19)20-5-2-10-23-14-20/h6-9,12-13,19-20,23H,2-5,10-11,14-15H2,1H3
InChIKeyOQNJPDCYVYCIQM-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.50
Rot. Bonds4

About (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone

(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone (PubChem CID 177314157) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
PubChem CID177314157
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone
SMILESCOc1ccc2cc(C(=O)C3CCCN(C4CCCNC4)C3)ccc2c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-8-16-12-18(7-6-17(16)13-21)22(25)19-4-3-11-24(15-19)20-5-2-10-23-14-20/h6-9,12-13,19-20,23H,2-5,10-11,14-15H2,1H3
InChIKeyOQNJPDCYVYCIQM-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexane;(6-methoxynaphthalen-2-yl)-piperidin-3-ylmethanone;prop-1-ene
CID 177314037
[1-(2-fluoroethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479372
[(3S,4S)-1-cyclobutyl-4-ethylpiperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 121479204
(E)-1-[(3R)-1-cyclopentylpiperidin-3-yl]-N-methoxy-1-(6-methoxynaphthalen-2-yl)methanimine
CID 172914172
(1-cyclobutylpiperidin-3-yl)-(2,4-dimethoxyphenyl)methanone
CID 45214819
[4-cyclobutyl-1-(cyclobutylmethyl)piperazin-2-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 145118733
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(1-cyclopentylpiperidin-3-yl)-(6-methylsulfinylnaphthalen-2-yl)methanone
CID 145118573
N-[2-[(3S)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]ethyl]acetamide
CID 97115600
N-cyclopropyl-2-[3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]acetamide
CID 56919001
piperidin-3-yl-[6-(trifluoromethoxy)naphthalen-2-yl]methanone
CID 177314079
N-methoxy-1-(6-methoxynaphthalen-2-yl)-1-[(3R)-piperidin-3-yl]methanimine
CID 177313970

Frequently Asked Questions

What is the IUPAC name of (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone?
The IUPAC name of (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone (CID 177314157) is (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone.
What is the SMILES notation for (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone?
The canonical SMILES for (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone is COc1ccc2cc(C(=O)C3CCCN(C4CCCNC4)C3)ccc2c1.
What is the InChIKey of (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone?
The InChIKey is OQNJPDCYVYCIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-8-16-12-18(7-6-17(16)13-21)22(25)19-4-3-11-24(15-19)20-5-2-10-23-14-20/h6-9,12-13,19-20,23H,2-5,10-11,14-15H2,1H3.
What are the key properties of (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone?
(6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone has a molecular weight of 352.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxynaphthalen-2-yl)-(1-piperidin-3-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 177314157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).