2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one

C20H26N2O2 — CID 17375116

IUPAC2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N2O2/c1-3-10-21-11-13-22(14-12-21)20(23)16(2)24-19-9-8-17-6-4-5-7-18(17)15-19/h4-9,15-16H,3,10-14H2,1-2H3
InChIKeyAUKXOYZMMQDDQQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.16
Rot. Bonds5

About 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one

2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one (PubChem CID 17375116) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
PubChem CID17375116
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one
SMILESCCCN1CCN(C(=O)C(C)Oc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H26N2O2/c1-3-10-21-11-13-22(14-12-21)20(23)16(2)24-19-9-8-17-6-4-5-7-18(17)15-19/h4-9,15-16H,3,10-14H2,1-2H3
InChIKeyAUKXOYZMMQDDQQ-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-naphthalen-2-yloxy-1-(4-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 70777331
2-naphthalen-2-yloxy-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 70709165
2-(4-benzoylphenoxy)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 24674832
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
CID 97110031
ethyl (2R)-2-naphthalen-2-yloxypropanoate
CID 842728
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-propan-2-ylphenoxy)propan-1-one
CID 27212390
2-(3-chlorophenoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 43391609
2-(4-ethylphenoxy)-1-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-one
CID 111434630
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
1-(4-benzylpiperazin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 17200498
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one (CID 17375116) is 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one is CCCN1CCN(C(=O)C(C)Oc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one?
The InChIKey is AUKXOYZMMQDDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-10-21-11-13-22(14-12-21)20(23)16(2)24-19-9-8-17-6-4-5-7-18(17)15-19/h4-9,15-16H,3,10-14H2,1-2H3.
What are the key properties of 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one?
2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-(4-propylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 17375116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).