CID 163403651

C14H20BN2O3 — CID 163403651

IUPAC—
SMILESC[B]N1CCN(C(=O)c2cccc(OC)c2OC)CC1
InChIInChI=1S/C14H20BN2O3/c1-15-17-9-7-16(8-10-17)14(18)11-5-4-6-12(19-2)13(11)20-3/h4-6H,7-10H2,1-3H3
InChIKeyCVSJMLJMUVYRKB-UHFFFAOYSA-N
MW275.14 g/mol
LogP1.13
Rot. Bonds4

About CID 163403651

CID 163403651 (PubChem CID 163403651) has the molecular formula C14H20BN2O3 and a molecular weight of 275.14 g/mol.

Molecular Properties

Compound NameCID 163403651
PubChem CID163403651
Molecular FormulaC14H20BN2O3
Molecular Weight275.14 g/mol
Exact Mass275.16
IUPAC Name—
SMILESC[B]N1CCN(C(=O)c2cccc(OC)c2OC)CC1
InChIInChI=1S/C14H20BN2O3/c1-15-17-9-7-16(8-10-17)14(18)11-5-4-6-12(19-2)13(11)20-3/h4-6H,7-10H2,1-3H3
InChIKeyCVSJMLJMUVYRKB-UHFFFAOYSA-N
XLogP1.13
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 163403651 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

[4-(1-adamantyl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 6468657
1-(2,3-dimethoxybenzoyl)-1,4-diazepan-5-one
CID 60707925
1-(2,3-dimethoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433253
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119647989
(2,3-dimethoxyphenyl)-[4-(6-pyrrol-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 71799904
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 57442807
(2,3-dimethoxyphenyl)-[4-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperazin-1-yl]methanone
CID 75463255
2-(3-bromophenyl)-1-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]ethanone
CID 86877980
azocan-1-yl-(2,3,4-trimethoxyphenyl)methanone
CID 78771101
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
(2,3-dimethoxyphenyl)-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1122464
[4-(4,5-dimethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 43982081

Frequently Asked Questions

What is the IUPAC name of CID 163403651?
The IUPAC name of CID 163403651 (CID 163403651) is not available.
What is the SMILES notation for CID 163403651?
The canonical SMILES for CID 163403651 is C[B]N1CCN(C(=O)c2cccc(OC)c2OC)CC1.
What is the InChIKey of CID 163403651?
The InChIKey is CVSJMLJMUVYRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BN2O3/c1-15-17-9-7-16(8-10-17)14(18)11-5-4-6-12(19-2)13(11)20-3/h4-6H,7-10H2,1-3H3.
What are the key properties of CID 163403651?
CID 163403651 has a molecular weight of 275.14 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163403651 is sourced from PubChem (CID 163403651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).