3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one

C21H24N4O2 — CID 121164888

IUPAC3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(n2nccn2)CC1
InChIInChI=1S/C21H24N4O2/c1-27-20-8-6-16-4-2-3-5-18(16)19(20)7-9-21(26)24-14-10-17(11-15-24)25-22-12-13-23-25/h2-6,8,12-13,17H,7,9-11,14-15H2,1H3
InChIKeyLBQZISLWFNGKJP-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.24
Rot. Bonds5

About 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one

3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 121164888) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID121164888
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc2ccccc2c1CCC(=O)N1CCC(n2nccn2)CC1
InChIInChI=1S/C21H24N4O2/c1-27-20-8-6-16-4-2-3-5-18(16)19(20)7-9-21(26)24-14-10-17(11-15-24)25-22-12-13-23-25/h2-6,8,12-13,17H,7,9-11,14-15H2,1H3
InChIKeyLBQZISLWFNGKJP-UHFFFAOYSA-N
XLogP3.24
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxynaphthalen-1-yl)-1-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]propan-1-one
CID 90616391
3-[1-[3-(2-methoxynaphthalen-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160307
1-(4-cyclopropylidenepiperidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121186934
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 90586658
1-(3-ethylsulfonylazetidin-1-yl)-3-(2-methoxynaphthalen-1-yl)propan-1-one
CID 121164374
3-(3-bromo-4-methoxyphenyl)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178580
3-(5-bromo-2-methoxyphenyl)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 121178581
(E)-3-(3,4-dimethoxyphenyl)-1-[4-(triazol-2-yl)piperidin-1-yl]prop-2-en-1-one
CID 121164952
1-phenyl-5-[4-(triazol-2-yl)piperidin-1-yl]pentane-1,5-dione
CID 121164859
3-(2-methoxynaphthalen-1-yl)-N-[[(2R)-1-phenylpyrrolidin-2-yl]methyl]propanamide
CID 99883088
3-(4-fluoro-3-methylphenyl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one
CID 121164901
N-(2,3-dimethoxyphenyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165128

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one (CID 121164888) is 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one is COc1ccc2ccccc2c1CCC(=O)N1CCC(n2nccn2)CC1.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is LBQZISLWFNGKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-27-20-8-6-16-4-2-3-5-18(16)19(20)7-9-21(26)24-14-10-17(11-15-24)25-22-12-13-23-25/h2-6,8,12-13,17H,7,9-11,14-15H2,1H3.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one?
3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-1-[4-(triazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 121164888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).