CID 160583707

C19H20BN2O — CID 160583707

IUPAC—
SMILESC#Cc1cncc2ccc(CN3CCC(C[B]C=O)CC3)cc12
InChIInChI=1S/C19H20BN2O/c1-2-17-11-21-12-18-4-3-16(9-19(17)18)13-22-7-5-15(6-8-22)10-20-14-23/h1,3-4,9,11-12,14-15H,5-8,10,13H2
InChIKeyJKSCHLRKJPCFCU-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.74
Rot. Bonds5

About CID 160583707

CID 160583707 (PubChem CID 160583707) has the molecular formula C19H20BN2O and a molecular weight of 303.19 g/mol.

Molecular Properties

Compound NameCID 160583707
PubChem CID160583707
Molecular FormulaC19H20BN2O
Molecular Weight303.19 g/mol
Exact Mass303.17
IUPAC Name—
SMILESC#Cc1cncc2ccc(CN3CCC(C[B]C=O)CC3)cc12
InChIInChI=1S/C19H20BN2O/c1-2-17-11-21-12-18-4-3-16(9-19(17)18)13-22-7-5-15(6-8-22)10-20-14-23/h1,3-4,9,11-12,14-15H,5-8,10,13H2
InChIKeyJKSCHLRKJPCFCU-UHFFFAOYSA-N
XLogP2.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
CID 174877630
N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
CID 122495432
5-[[1-[(3-nitrophenyl)methyl]piperidin-4-yl]methyl]isoquinoline
CID 157122362
[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
CID 122457801
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
4-[[4-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63387556
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 70310445
N-methyl-2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]-N-phenylacetamide
CID 10067903
2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174284496
2-[1-(isoquinolin-4-ylmethyl)pyrrolidin-3-yl]acetic acid
CID 104505277
1-(1H-indol-5-ylmethyl)-N-(pyrazin-2-ylmethyl)piperidine-4-carboxamide
CID 155249317

Frequently Asked Questions

What is the IUPAC name of CID 160583707?
The IUPAC name of CID 160583707 (CID 160583707) is not available.
What is the SMILES notation for CID 160583707?
The canonical SMILES for CID 160583707 is C#Cc1cncc2ccc(CN3CCC(C[B]C=O)CC3)cc12.
What is the InChIKey of CID 160583707?
The InChIKey is JKSCHLRKJPCFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BN2O/c1-2-17-11-21-12-18-4-3-16(9-19(17)18)13-22-7-5-15(6-8-22)10-20-14-23/h1,3-4,9,11-12,14-15H,5-8,10,13H2.
What are the key properties of CID 160583707?
CID 160583707 has a molecular weight of 303.19 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160583707 is sourced from PubChem (CID 160583707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).