3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

C16H21N3O — CID 662061

IUPAC3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C16H21N3O/c1-11(2)15-13-5-3-4-12(13)14(10-17)16(18-15)19-6-8-20-9-7-19/h11H,3-9H2,1-2H3
InChIKeyVSXGXGUMPCSONU-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.40
Rot. Bonds2

About 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile

3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (PubChem CID 662061) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
PubChem CID662061
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
SMILESCC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCC2
InChIInChI=1S/C16H21N3O/c1-11(2)15-13-5-3-4-12(13)14(10-17)16(18-15)19-6-8-20-9-7-19/h11H,3-9H2,1-2H3
InChIKeyVSXGXGUMPCSONU-UHFFFAOYSA-N
XLogP2.40
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The IUPAC name of 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile (CID 662061) is 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile.
What is the SMILES notation for 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The canonical SMILES for 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCC2.
What is the InChIKey of 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
The InChIKey is VSXGXGUMPCSONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)15-13-5-3-4-12(13)14(10-17)16(18-15)19-6-8-20-9-7-19/h11H,3-9H2,1-2H3.
What are the key properties of 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile?
3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile has a molecular weight of 271.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-1-propan-2-yl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile is sourced from PubChem (CID 662061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).