[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone

C23H28N2O3 — CID 46988116

IUPAC[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(C2(CN3CCN(C(=O)c4ccccc4)CC3)CCOC2)c1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-5-8-20(16-21)23(10-15-28-18-23)17-24-11-13-25(14-12-24)22(26)19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3
InChIKeyGYHICNAMUMVOSP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.81
Rot. Bonds5

About [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone

[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone (PubChem CID 46988116) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
PubChem CID46988116
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone
SMILESCOc1cccc(C2(CN3CCN(C(=O)c4ccccc4)CC3)CCOC2)c1
InChIInChI=1S/C23H28N2O3/c1-27-21-9-5-8-20(16-21)23(10-15-28-18-23)17-24-11-13-25(14-12-24)22(26)19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3
InChIKeyGYHICNAMUMVOSP-UHFFFAOYSA-N
XLogP2.81
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70737100
[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]-phenylmethanone
CID 110602055
1-(2-phenoxyethyl)-4-[[(3R)-3-phenyloxolan-3-yl]methyl]piperazine
CID 99930454
[4-(3-methoxyphenyl)oxan-4-yl]methanamine
CID 61264029
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
[4-[[(4S)-2,2-dimethyloxan-4-yl]methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 95718703
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[1-(3-methoxyphenyl)cyclopropyl]acetic acid
CID 82077265
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone (CID 46988116) is [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone is COc1cccc(C2(CN3CCN(C(=O)c4ccccc4)CC3)CCOC2)c1.
What is the InChIKey of [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
The InChIKey is GYHICNAMUMVOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-9-5-8-20(16-21)23(10-15-28-18-23)17-24-11-13-25(14-12-24)22(26)19-6-3-2-4-7-19/h2-9,16H,10-15,17-18H2,1H3.
What are the key properties of [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone?
[4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone has a molecular weight of 380.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(3-methoxyphenyl)oxolan-3-yl]methyl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 46988116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).