CID 176562010

C19H26BN3O2 — CID 176562010

IUPAC—
SMILES[B]c1cnc2c(c1)c(CC)cn2C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26BN3O2/c1-5-13-12-23(17-16(13)10-14(20)11-21-17)15-6-8-22(9-7-15)18(24)25-19(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyAVIWQUPKAYQQAJ-UHFFFAOYSA-N
MW339.25 g/mol
LogP2.96
Rot. Bonds2

About CID 176562010

CID 176562010 (PubChem CID 176562010) has the molecular formula C19H26BN3O2 and a molecular weight of 339.25 g/mol.

Molecular Properties

Compound NameCID 176562010
PubChem CID176562010
Molecular FormulaC19H26BN3O2
Molecular Weight339.25 g/mol
Exact Mass339.21
IUPAC Name—
SMILES[B]c1cnc2c(c1)c(CC)cn2C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H26BN3O2/c1-5-13-12-23(17-16(13)10-14(20)11-21-17)15-6-8-22(9-7-15)18(24)25-19(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyAVIWQUPKAYQQAJ-UHFFFAOYSA-N
XLogP2.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-(2-ethylimidazol-1-yl)piperidine-1-carboxylate
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tert-butyl 3-(5-bromo-3-methylpyrrolo[2,3-b]pyridin-1-yl)pyrrolidine-1-carboxylate
CID 176563472
tert-butyl 4-(2-aminopurin-9-yl)piperidine-1-carboxylate
CID 11381565
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
tert-butyl 4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)piperidine-1-carboxylate
CID 58270310
ethyl 4-chloro-7-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 87095976
tert-butyl 4-(3-methyl-1,2,4-triazol-4-yl)piperidine-1-carboxylate
CID 170740823
tert-butyl 4-(4-bromo-5-ethylpyrazol-1-yl)piperidine-1-carboxylate
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tert-butyl 4-(4-propanoylpyrazol-1-yl)piperidine-1-carboxylate
CID 155207963
tert-butyl 4-[[5-(5-bromo-3-methylpyrrolo[2,3-b]pyridin-1-yl)-1,3-dioxan-2-yl]methyl]piperazine-1-carboxylate
CID 176562098
tert-butyl 4-[2-(2-hydroxypropan-2-yl)-4-methylimidazol-1-yl]piperidine-1-carboxylate
CID 69192840
tert-butyl 4-(2-propan-2-ylimidazol-1-yl)piperidine-1-carboxylate
CID 23084185

Frequently Asked Questions

What is the IUPAC name of CID 176562010?
The IUPAC name of CID 176562010 (CID 176562010) is not available.
What is the SMILES notation for CID 176562010?
The canonical SMILES for CID 176562010 is [B]c1cnc2c(c1)c(CC)cn2C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of CID 176562010?
The InChIKey is AVIWQUPKAYQQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BN3O2/c1-5-13-12-23(17-16(13)10-14(20)11-21-17)15-6-8-22(9-7-15)18(24)25-19(2,3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of CID 176562010?
CID 176562010 has a molecular weight of 339.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176562010 is sourced from PubChem (CID 176562010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).