2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

C23H31N3O2 — CID 112800157

IUPAC2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc2ccccc2c1CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H31N3O2/c1-28-22-10-9-19-7-3-4-8-20(19)21(22)17-24-13-15-25(16-14-24)18-23(27)26-11-5-2-6-12-26/h3-4,7-10H,2,5-6,11-18H2,1H3
InChIKeyULTNHTJZKQZZGF-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.98
Rot. Bonds5

About 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 112800157) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID112800157
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc2ccccc2c1CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C23H31N3O2/c1-28-22-10-9-19-7-3-4-8-20(19)21(22)17-24-13-15-25(16-14-24)18-23(27)26-11-5-2-6-12-26/h3-4,7-10H,2,5-6,11-18H2,1H3
InChIKeyULTNHTJZKQZZGF-UHFFFAOYSA-N
XLogP2.98
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 43045464
(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882
(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6733025
furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366521
3-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]propan-1-amine
CID 54855934
1-[(2-ethoxynaphthalen-1-yl)methyl]piperidine
CID 141150961
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305
1-(azepan-1-yl)-2-(4-benzylpiperazin-1-yl)ethanone chloride
CID 53350851
2-[4-[(2-methoxy-5-nitrophenyl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 27128068
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902438
[2-(difluoromethoxy)phenyl]methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6711009

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone (CID 112800157) is 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is COc1ccc2ccccc2c1CN1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ULTNHTJZKQZZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-28-22-10-9-19-7-3-4-8-20(19)21(22)17-24-13-15-25(16-14-24)18-23(27)26-11-5-2-6-12-26/h3-4,7-10H,2,5-6,11-18H2,1H3.
What are the key properties of 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 381.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 112800157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).