[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone

C24H27N3O3 — CID 19865890

IUPAC[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc2cc(C(O)C(C)N3CCN(C(=O)c4cccnc4)CC3)ccc2c1
InChIInChI=1S/C24H27N3O3/c1-17(23(28)20-6-5-19-15-22(30-2)8-7-18(19)14-20)26-10-12-27(13-11-26)24(29)21-4-3-9-25-16-21/h3-9,14-17,23,28H,10-13H2,1-2H3
InChIKeyNGRHMLRPUUQXDK-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.12
Rot. Bonds5

About [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone

[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone (PubChem CID 19865890) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
PubChem CID19865890
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1ccc2cc(C(O)C(C)N3CCN(C(=O)c4cccnc4)CC3)ccc2c1
InChIInChI=1S/C24H27N3O3/c1-17(23(28)20-6-5-19-15-22(30-2)8-7-18(19)14-20)26-10-12-27(13-11-26)24(29)21-4-3-9-25-16-21/h3-9,14-17,23,28H,10-13H2,1-2H3
InChIKeyNGRHMLRPUUQXDK-UHFFFAOYSA-N
XLogP3.12
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
2-(3-methoxyphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 110349906
[4-(2,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 110364631
[4-(2-methoxy-4,5-dimethylbenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110802901
1-[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 54428673
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
CID 136519238
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
(4S)-1-(4-methoxyphenyl)-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29135200
[(3R)-3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-pyridin-3-ylmethanone
CID 124953934
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881

Frequently Asked Questions

What is the IUPAC name of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone (CID 19865890) is [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone is COc1ccc2cc(C(O)C(C)N3CCN(C(=O)c4cccnc4)CC3)ccc2c1.
What is the InChIKey of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is NGRHMLRPUUQXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17(23(28)20-6-5-19-15-22(30-2)8-7-18(19)14-20)26-10-12-27(13-11-26)24(29)21-4-3-9-25-16-21/h3-9,14-17,23,28H,10-13H2,1-2H3.
What are the key properties of [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone?
[4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 405.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-hydroxy-1-(6-methoxynaphthalen-2-yl)propan-2-yl]piperazin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 19865890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).