2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide

C15H21N3O — CID 90013485

IUPAC2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide
SMILESNC(=O)C1CN(C2CCNCC2)C1c1ccccc1
InChIInChI=1S/C15H21N3O/c16-15(19)13-10-18(12-6-8-17-9-7-12)14(13)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2,(H2,16,19)
InChIKeyXLJPVVATUOCREI-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.90
Rot. Bonds3

About 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide

2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide (PubChem CID 90013485) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide.

Molecular Properties

Compound Name2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide
PubChem CID90013485
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide
SMILESNC(=O)C1CN(C2CCNCC2)C1c1ccccc1
InChIInChI=1S/C15H21N3O/c16-15(19)13-10-18(12-6-8-17-9-7-12)14(13)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2,(H2,16,19)
InChIKeyXLJPVVATUOCREI-UHFFFAOYSA-N
XLogP0.90
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide?
The IUPAC name of 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide (CID 90013485) is 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide.
What is the SMILES notation for 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide?
The canonical SMILES for 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide is NC(=O)C1CN(C2CCNCC2)C1c1ccccc1.
What is the InChIKey of 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide?
The InChIKey is XLJPVVATUOCREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-15(19)13-10-18(12-6-8-17-9-7-12)14(13)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2,(H2,16,19).
What are the key properties of 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide?
2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-piperidin-4-ylazetidine-3-carboxamide is sourced from PubChem (CID 90013485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).