N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide

C16H19N5O2 — CID 42925469

IUPACN-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C16H19N5O2/c22-15(10-21-12-17-11-18-21)20-8-4-5-13(9-20)16(23)19-14-6-2-1-3-7-14/h1-3,6-7,11-13H,4-5,8-10H2,(H,19,23)
InChIKeyWNQLWISAABRCBU-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.16
Rot. Bonds4

About N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide

N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide (PubChem CID 42925469) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
PubChem CID42925469
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)Cn2cncn2)C1
InChIInChI=1S/C16H19N5O2/c22-15(10-21-12-17-11-18-21)20-8-4-5-13(9-20)16(23)19-14-6-2-1-3-7-14/h1-3,6-7,11-13H,4-5,8-10H2,(H,19,23)
InChIKeyWNQLWISAABRCBU-UHFFFAOYSA-N
XLogP1.16
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide (CID 42925469) is N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)Cn2cncn2)C1.
What is the InChIKey of N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is WNQLWISAABRCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c22-15(10-21-12-17-11-18-21)20-8-4-5-13(9-20)16(23)19-14-6-2-1-3-7-14/h1-3,6-7,11-13H,4-5,8-10H2,(H,19,23).
What are the key properties of N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide?
N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 42925469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).