CID 89264833

C23H29BN2O2 — CID 89264833

IUPAC—
SMILES[B]c1ccc(C(=O)N2CCN(C(C)c3ccc(OC)c(C)c3C)CC2)cc1C
InChIInChI=1S/C23H29BN2O2/c1-15-14-19(6-8-21(15)24)23(27)26-12-10-25(11-13-26)18(4)20-7-9-22(28-5)17(3)16(20)2/h6-9,14,18H,10-13H2,1-5H3
InChIKeyWJQSJTSYYGTSBW-UHFFFAOYSA-N
MW376.31 g/mol
LogP2.93
Rot. Bonds4

About CID 89264833

CID 89264833 (PubChem CID 89264833) has the molecular formula C23H29BN2O2 and a molecular weight of 376.31 g/mol.

Molecular Properties

Compound NameCID 89264833
PubChem CID89264833
Molecular FormulaC23H29BN2O2
Molecular Weight376.31 g/mol
Exact Mass376.23
IUPAC Name—
SMILES[B]c1ccc(C(=O)N2CCN(C(C)c3ccc(OC)c(C)c3C)CC2)cc1C
InChIInChI=1S/C23H29BN2O2/c1-15-14-19(6-8-21(15)24)23(27)26-12-10-25(11-13-26)18(4)20-7-9-22(28-5)17(3)16(20)2/h6-9,14,18H,10-13H2,1-5H3
InChIKeyWJQSJTSYYGTSBW-UHFFFAOYSA-N
XLogP2.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.31
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051210
4-[4-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2051207
1-[4-(4-methoxy-3-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761022
4-(3-methoxy-4-methylbenzoyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperazine-1-carboxamide
CID 55922461
(2S)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 124686905
(3-bromo-4-methoxyphenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778016
(4-methoxy-3-propan-2-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 58015998
1-[4-(4-methoxy-3-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 110761401
4-[4-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2050969
(4-chlorophenyl)-[4-[1-[2,3-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]ethyl]piperazin-1-yl]methanone
CID 11591292
(4-chlorophenyl)-[4-[(1R)-1-[2,3-dimethyl-4-[3-(propan-2-ylamino)propoxy]phenyl]ethyl]piperazin-1-yl]methanone
CID 11540084
(4-cyclopropylidenepiperidin-1-yl)-(4-methoxy-3-methylphenyl)methanone
CID 121187072

Frequently Asked Questions

What is the IUPAC name of CID 89264833?
The IUPAC name of CID 89264833 (CID 89264833) is not available.
What is the SMILES notation for CID 89264833?
The canonical SMILES for CID 89264833 is [B]c1ccc(C(=O)N2CCN(C(C)c3ccc(OC)c(C)c3C)CC2)cc1C.
What is the InChIKey of CID 89264833?
The InChIKey is WJQSJTSYYGTSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BN2O2/c1-15-14-19(6-8-21(15)24)23(27)26-12-10-25(11-13-26)18(4)20-7-9-22(28-5)17(3)16(20)2/h6-9,14,18H,10-13H2,1-5H3.
What are the key properties of CID 89264833?
CID 89264833 has a molecular weight of 376.31 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89264833 is sourced from PubChem (CID 89264833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).