CID 174096666

C20H23BFN3O3 — CID 174096666

IUPAC—
SMILES[B]N1CCC(c2cccc(OCc3ccc(C(=O)N(C)OC)cc3F)n2)CC1
InChIInChI=1S/C20H23BFN3O3/c1-24(27-2)20(26)15-6-7-16(17(22)12-15)13-28-19-5-3-4-18(23-19)14-8-10-25(21)11-9-14/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyBBIVHZPMEBLXNK-UHFFFAOYSA-N
MW383.23 g/mol
LogP2.70
Rot. Bonds6

About CID 174096666

CID 174096666 (PubChem CID 174096666) has the molecular formula C20H23BFN3O3 and a molecular weight of 383.23 g/mol.

Molecular Properties

Compound NameCID 174096666
PubChem CID174096666
Molecular FormulaC20H23BFN3O3
Molecular Weight383.23 g/mol
Exact Mass383.18
IUPAC Name—
SMILES[B]N1CCC(c2cccc(OCc3ccc(C(=O)N(C)OC)cc3F)n2)CC1
InChIInChI=1S/C20H23BFN3O3/c1-24(27-2)20(26)15-6-7-16(17(22)12-15)13-28-19-5-3-4-18(23-19)14-8-10-25(21)11-9-14/h3-7,12,14H,8-11,13H2,1-2H3
InChIKeyBBIVHZPMEBLXNK-UHFFFAOYSA-N
XLogP2.70
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-methoxy-N-methyl-3-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 170081080
CID 174096941
CID 174096941
3-[2-[4-[6-[(2,4-difluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-methylamino]-4-methylbenzoic acid
CID 177189926
3-methoxy-4-[[6-(1-methylpiperidin-4-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 167016002
2-[[2-fluoro-4-(1-pyridin-3-ylethenyl)phenyl]methoxy]-6-(1-methylpiperidin-4-yl)pyridine
CID 167016332
tert-butyl 4-[6-[(2-methoxy-4-methoxycarbonylphenyl)methoxy]-2-pyridinyl]piperidine-1-carboxylate
CID 163253222
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
methyl 2-[[4-[6-[(4-cyano-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-1,3-benzothiazole-6-carboxylate
CID 178135601
3-[2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]ethyl-(2,2-difluoropropyl)amino]-4-methylbenzoic acid
CID 177190219
5-[3-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]prop-1-en-2-yl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 177190077
tert-butyl 4-[6-[[4-[methoxy(methyl)carbamoyl]-2-methylphenyl]methoxy]-2-pyridinyl]-2-methylpiperazine-1-carboxylate
CID 175451132
(E)-3-[6-[[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]piperidin-1-yl]methyl]-3-pyridinyl]prop-2-enoic acid
CID 163644973

Frequently Asked Questions

What is the IUPAC name of CID 174096666?
The IUPAC name of CID 174096666 (CID 174096666) is not available.
What is the SMILES notation for CID 174096666?
The canonical SMILES for CID 174096666 is [B]N1CCC(c2cccc(OCc3ccc(C(=O)N(C)OC)cc3F)n2)CC1.
What is the InChIKey of CID 174096666?
The InChIKey is BBIVHZPMEBLXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BFN3O3/c1-24(27-2)20(26)15-6-7-16(17(22)12-15)13-28-19-5-3-4-18(23-19)14-8-10-25(21)11-9-14/h3-7,12,14H,8-11,13H2,1-2H3.
What are the key properties of CID 174096666?
CID 174096666 has a molecular weight of 383.23 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174096666 is sourced from PubChem (CID 174096666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).