9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole

C16H18N4O — CID 663380

IUPAC9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole
SMILESCOc1cccc2[nH]c3c(N4CCCCC4)ncnc3c12
InChIInChI=1S/C16H18N4O/c1-21-12-7-5-6-11-13(12)14-15(19-11)16(18-10-17-14)20-8-3-2-4-9-20/h5-7,10,19H,2-4,8-9H2,1H3
InChIKeyHRWWUQCXYSWKAR-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.11
Rot. Bonds2

About 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole

9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole (PubChem CID 663380) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole.

Molecular Properties

Compound Name9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole
PubChem CID663380
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole
SMILESCOc1cccc2[nH]c3c(N4CCCCC4)ncnc3c12
InChIInChI=1S/C16H18N4O/c1-21-12-7-5-6-11-13(12)14-15(19-11)16(18-10-17-14)20-8-3-2-4-9-20/h5-7,10,19H,2-4,8-9H2,1H3
InChIKeyHRWWUQCXYSWKAR-UHFFFAOYSA-N
XLogP3.11
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole?
The IUPAC name of 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole (CID 663380) is 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole.
What is the SMILES notation for 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole?
The canonical SMILES for 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole is COc1cccc2[nH]c3c(N4CCCCC4)ncnc3c12.
What is the InChIKey of 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole?
The InChIKey is HRWWUQCXYSWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-21-12-7-5-6-11-13(12)14-15(19-11)16(18-10-17-14)20-8-3-2-4-9-20/h5-7,10,19H,2-4,8-9H2,1H3.
What are the key properties of 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole?
9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole has a molecular weight of 282.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-piperidin-1-yl-5H-pyrimido[5,4-b]indole is sourced from PubChem (CID 663380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).