1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone

C19H29N3O2 — CID 56783112

IUPAC1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
SMILESCN1CCCCC1CN1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-20-10-6-5-7-17(20)15-21-11-13-22(14-12-21)19(23)16-24-18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3
InChIKeyZVAPNYRJKAFQAT-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.69
Rot. Bonds5

About 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone

1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone (PubChem CID 56783112) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
PubChem CID56783112
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone
SMILESCN1CCCCC1CN1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C19H29N3O2/c1-20-10-6-5-7-17(20)15-21-11-13-22(14-12-21)19(23)16-24-18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3
InChIKeyZVAPNYRJKAFQAT-UHFFFAOYSA-N
XLogP1.69
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone 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

1-[(1-methylpiperidin-2-yl)methyl]-4-(2-phenoxyethyl)piperazine
CID 56785924
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(2-methoxyphenyl)-1-[4-[[(2S)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethanone
CID 95293833
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 110797836
(2R)-2-methoxy-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]-2-phenylethanone
CID 95615873
1-[4-(2-bromoethyl)piperazin-1-yl]-2-phenoxyethanone
CID 80659936
1-[4-(3-methylbutyl)piperazin-1-yl]-2-phenoxyethanone
CID 47043100
(2-ethoxyphenyl)-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]methanone
CID 95304741
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
1-[3-(1-methylpiperidin-2-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-phenoxyethanone
CID 110263122

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone (CID 56783112) is 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone is CN1CCCCC1CN1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is ZVAPNYRJKAFQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-20-10-6-5-7-17(20)15-21-11-13-22(14-12-21)19(23)16-24-18-8-3-2-4-9-18/h2-4,8-9,17H,5-7,10-16H2,1H3.
What are the key properties of 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone?
1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 331.46 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 56783112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).