1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one

C19H21N3O — CID 155584935

IUPAC1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)[nH]c1ccncc12)N1CCCCC1
InChIInChI=1S/C19H21N3O/c23-19(22-10-2-1-3-11-22)7-5-14-4-6-15-16-13-20-9-8-17(16)21-18(15)12-14/h4,6,8-9,12-13,21H,1-3,5,7,10-11H2
InChIKeyIJEWWRDSOZRJFB-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.66
Rot. Bonds3

About 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one

1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one (PubChem CID 155584935) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one
PubChem CID155584935
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one
SMILESO=C(CCc1ccc2c(c1)[nH]c1ccncc12)N1CCCCC1
InChIInChI=1S/C19H21N3O/c23-19(22-10-2-1-3-11-22)7-5-14-4-6-15-16-13-20-9-8-17(16)21-18(15)12-14/h4,6,8-9,12-13,21H,1-3,5,7,10-11H2
InChIKeyIJEWWRDSOZRJFB-UHFFFAOYSA-N
XLogP3.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one?
The IUPAC name of 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one (CID 155584935) is 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one is O=C(CCc1ccc2c(c1)[nH]c1ccncc12)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one?
The InChIKey is IJEWWRDSOZRJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-19(22-10-2-1-3-11-22)7-5-14-4-6-15-16-13-20-9-8-17(16)21-18(15)12-14/h4,6,8-9,12-13,21H,1-3,5,7,10-11H2.
What are the key properties of 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one?
1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one is sourced from PubChem (CID 155584935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).