3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one

C19H22N2O3 — CID 108536410

IUPAC3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H22N2O3/c1-24-14-9-18(22)20-10-12-21(13-11-20)19(23)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3
InChIKeyXIQATPBKNHRKMM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.16
Rot. Bonds4

About 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one

3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 108536410) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID108536410
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H22N2O3/c1-24-14-9-18(22)20-10-12-21(13-11-20)19(23)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3
InChIKeyXIQATPBKNHRKMM-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
4-(2-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 108547065
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-4-methoxybutan-1-one
CID 87004663
3-(4-methylphenyl)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547207
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
2-(4-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 1074741
2-(2-methoxyphenoxy)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547210
4-(2,6-dimethylphenoxy)-1-[4-(3-methoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536173
N-(3-methoxypropyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 17465957
1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 108547203
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one (CID 108536410) is 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one is COCCC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is XIQATPBKNHRKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-24-14-9-18(22)20-10-12-21(13-11-20)19(23)17-8-4-6-15-5-2-3-7-16(15)17/h2-8H,9-14H2,1H3.
What are the key properties of 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one?
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 326.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108536410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).