(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one

C19H24N2O2 — CID 92684366

IUPAC(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(C)CC1
InChIInChI=1S/C19H24N2O2/c1-3-17(19(22)21-13-11-20(2)12-14-21)23-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,17H,3,11-14H2,1-2H3/t17-/m0/s1
InChIKeySNIWXDBHTAVCTH-KRWDZBQOSA-N
MW312.41 g/mol
LogP2.77
Rot. Bonds4

About (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one

(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one (PubChem CID 92684366) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one
PubChem CID92684366
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one
SMILESCC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(C)CC1
InChIInChI=1S/C19H24N2O2/c1-3-17(19(22)21-13-11-20(2)12-14-21)23-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,17H,3,11-14H2,1-2H3/t17-/m0/s1
InChIKeySNIWXDBHTAVCTH-KRWDZBQOSA-N
XLogP2.77
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(2-methoxyphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 28551833
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-naphthalen-1-yloxybutan-1-one
CID 93487207
2-(2-methylphenoxy)-1-[4-[2-(2-methylphenoxy)butanoyl]-1,4-diazepan-1-yl]butan-1-one
CID 4981254
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
(2S)-1-(4-ethylpiperazin-1-yl)-2-(2-methoxyphenoxy)butan-1-one
CID 9173128
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2R)-2-(2-methylphenoxy)-1-piperidin-1-ylbutan-1-one
CID 93488066
1-(4-benzhydrylpiperazin-1-yl)-2-(2-methylphenoxy)butan-1-one
CID 4945513
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
2-(3,4-dimethylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 17250166
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
(2S)-2-(2,3-dimethylphenoxy)-1-(4-ethylpiperazin-1-yl)butan-1-one
CID 99131307

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one?
The IUPAC name of (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one (CID 92684366) is (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one.
What is the SMILES notation for (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one?
The canonical SMILES for (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one is CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(C)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one?
The InChIKey is SNIWXDBHTAVCTH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-3-17(19(22)21-13-11-20(2)12-14-21)23-18-10-6-8-15-7-4-5-9-16(15)18/h4-10,17H,3,11-14H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one?
(2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one has a molecular weight of 312.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperazin-1-yl)-2-naphthalen-1-yloxybutan-1-one is sourced from PubChem (CID 92684366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).