1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile

C18H32N4O — CID 129230049

IUPAC1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile
SMILESCC(C)N1CC(O)(C2CCCC(CC(C)N3CC(C#N)C3)N2)C1
InChIInChI=1S/C18H32N4O/c1-13(2)22-11-18(23,12-22)17-6-4-5-16(20-17)7-14(3)21-9-15(8-19)10-21/h13-17,20,23H,4-7,9-12H2,1-3H3
InChIKeyKOHKTIJRGWRRGC-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.19
Rot. Bonds5

About 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile

1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile (PubChem CID 129230049) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile.

Molecular Properties

Compound Name1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile
PubChem CID129230049
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile
SMILESCC(C)N1CC(O)(C2CCCC(CC(C)N3CC(C#N)C3)N2)C1
InChIInChI=1S/C18H32N4O/c1-13(2)22-11-18(23,12-22)17-6-4-5-16(20-17)7-14(3)21-9-15(8-19)10-21/h13-17,20,23H,4-7,9-12H2,1-3H3
InChIKeyKOHKTIJRGWRRGC-UHFFFAOYSA-N
XLogP1.19
TPSA62.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile?
The IUPAC name of 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile (CID 129230049) is 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile.
What is the SMILES notation for 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile?
The canonical SMILES for 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile is CC(C)N1CC(O)(C2CCCC(CC(C)N3CC(C#N)C3)N2)C1.
What is the InChIKey of 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile?
The InChIKey is KOHKTIJRGWRRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-13(2)22-11-18(23,12-22)17-6-4-5-16(20-17)7-14(3)21-9-15(8-19)10-21/h13-17,20,23H,4-7,9-12H2,1-3H3.
What are the key properties of 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile?
1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile has a molecular weight of 320.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(3-hydroxy-1-propan-2-ylazetidin-3-yl)piperidin-2-yl]propan-2-yl]azetidine-3-carbonitrile is sourced from PubChem (CID 129230049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).