CID 166471893

C16H23BN2O2 — CID 166471893

IUPAC—
SMILES[B]c1ccc(N2CCC(CC(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H23BN2O2/c1-16(2,3)21-15(20)10-12-6-8-19(9-7-12)14-5-4-13(17)11-18-14/h4-5,11-12H,6-10H2,1-3H3
InChIKeyCTTJNSSKKGINNQ-UHFFFAOYSA-N
MW286.18 g/mol
LogP1.82
Rot. Bonds3

About CID 166471893

CID 166471893 (PubChem CID 166471893) has the molecular formula C16H23BN2O2 and a molecular weight of 286.18 g/mol.

Molecular Properties

Compound NameCID 166471893
PubChem CID166471893
Molecular FormulaC16H23BN2O2
Molecular Weight286.18 g/mol
Exact Mass286.19
IUPAC Name—
SMILES[B]c1ccc(N2CCC(CC(=O)OC(C)(C)C)CC2)nc1
InChIInChI=1S/C16H23BN2O2/c1-16(2,3)21-15(20)10-12-6-8-19(9-7-12)14-5-4-13(17)11-18-14/h4-5,11-12H,6-10H2,1-3H3
InChIKeyCTTJNSSKKGINNQ-UHFFFAOYSA-N
XLogP1.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze CID 166471893 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

tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;ethane
CID 166113585
1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 146344171
CID 89265211
CID 89265211
tert-butyl 2-[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperidin-4-yl]acetate
CID 171697727
tert-butyl 2-[(3S)-1-(1,2,4-triazin-3-yl)pyrrolidin-3-yl]acetate
CID 158627414
tert-butyl 2-[1-(8-oxo-7H-pyrimido[5,4-d]pyrimidin-2-yl)piperidin-4-yl]acetate
CID 161233827
tert-butyl 1-[1-(5-amino-2-pyridinyl)piperidin-4-yl]azetidine-3-carboxylate
CID 166113221
tert-butyl N-[[(3R)-1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174632
tert-butyl 4-[[4-(5-iodo-2-pyridinyl)piperazin-1-yl]methyl]piperidine-1-carboxylate
CID 177363385
2-[1-(5-ethoxycarbonyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79610114
2-[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]acetic acid
CID 79608982
tert-butyl 4-(5-formyl-2-pyridinyl)piperazine-1-carboxylate;hydrochloride
CID 175531305

Frequently Asked Questions

What is the IUPAC name of CID 166471893?
The IUPAC name of CID 166471893 (CID 166471893) is not available.
What is the SMILES notation for CID 166471893?
The canonical SMILES for CID 166471893 is [B]c1ccc(N2CCC(CC(=O)OC(C)(C)C)CC2)nc1.
What is the InChIKey of CID 166471893?
The InChIKey is CTTJNSSKKGINNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BN2O2/c1-16(2,3)21-15(20)10-12-6-8-19(9-7-12)14-5-4-13(17)11-18-14/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of CID 166471893?
CID 166471893 has a molecular weight of 286.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166471893 is sourced from PubChem (CID 166471893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).