2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C23H29N3O3 — CID 43045464

IUPAC2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C23H29N3O3/c1-29-21-10-9-20(18-7-3-4-8-19(18)21)23(28)26-15-13-24(14-16-26)17-22(27)25-11-5-2-6-12-25/h3-4,7-10H,2,5-6,11-17H2,1H3
InChIKeyVYRWHNLDQHUBBF-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 43045464) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID43045464
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCOc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc12
InChIInChI=1S/C23H29N3O3/c1-29-21-10-9-20(18-7-3-4-8-19(18)21)23(28)26-15-13-24(14-16-26)17-22(27)25-11-5-2-6-12-25/h3-4,7-10H,2,5-6,11-17H2,1H3
InChIKeyVYRWHNLDQHUBBF-UHFFFAOYSA-N
XLogP2.62
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,5-dimethoxybenzoyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17471888
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 112800157
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 57442807
1-(azepan-1-yl)-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 86911352
2-[4-(2-methoxypyridine-3-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 39488062
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
azepan-1-yl-(4-methoxy-2,3-dimethylphenyl)methanone
CID 110763192
methyl 2-[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]sulfanylpropanoate
CID 55871171
3-amino-1-[4-(2,3,4-trimethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119342573
2-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 55447305

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 43045464) is 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is COc1ccc(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c2ccccc12.
What is the InChIKey of 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is VYRWHNLDQHUBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-10-9-20(18-7-3-4-8-19(18)21)23(28)26-15-13-24(14-16-26)17-22(27)25-11-5-2-6-12-25/h3-4,7-10H,2,5-6,11-17H2,1H3.
What are the key properties of 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 395.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxynaphthalene-1-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43045464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).