1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide

C16H20N4O — CID 22132350

IUPAC1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
SMILESN#Cc1ccccc1N1CCC(N2CC(C(N)=O)C2)CC1
InChIInChI=1S/C16H20N4O/c17-9-12-3-1-2-4-15(12)19-7-5-14(6-8-19)20-10-13(11-20)16(18)21/h1-4,13-14H,5-8,10-11H2,(H2,18,21)
InChIKeyPESWMLVVMPDMCQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.94
Rot. Bonds3

About 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide

1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide (PubChem CID 22132350) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
PubChem CID22132350
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide
SMILESN#Cc1ccccc1N1CCC(N2CC(C(N)=O)C2)CC1
InChIInChI=1S/C16H20N4O/c17-9-12-3-1-2-4-15(12)19-7-5-14(6-8-19)20-10-13(11-20)16(18)21/h1-4,13-14H,5-8,10-11H2,(H2,18,21)
InChIKeyPESWMLVVMPDMCQ-UHFFFAOYSA-N
XLogP0.94
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide?
The IUPAC name of 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide (CID 22132350) is 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide is N#Cc1ccccc1N1CCC(N2CC(C(N)=O)C2)CC1.
What is the InChIKey of 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide?
The InChIKey is PESWMLVVMPDMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c17-9-12-3-1-2-4-15(12)19-7-5-14(6-8-19)20-10-13(11-20)16(18)21/h1-4,13-14H,5-8,10-11H2,(H2,18,21).
What are the key properties of 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide?
1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-cyanophenyl)piperidin-4-yl]azetidine-3-carboxamide is sourced from PubChem (CID 22132350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).