1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide

C13H23N5O — CID 50955885

IUPAC1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(C)C)CC1)c1ncn[nH]1
InChIInChI=1S/C13H23N5O/c1-9(2)18-6-4-11(5-7-18)13(19)16-10(3)12-14-8-15-17-12/h8-11H,4-7H2,1-3H3,(H,16,19)(H,14,15,17)
InChIKeyUFUDNDMSJVAZQV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.10
Rot. Bonds4

About 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide

1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide (PubChem CID 50955885) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
PubChem CID50955885
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
SMILESCC(NC(=O)C1CCN(C(C)C)CC1)c1ncn[nH]1
InChIInChI=1S/C13H23N5O/c1-9(2)18-6-4-11(5-7-18)13(19)16-10(3)12-14-8-15-17-12/h8-11H,4-7H2,1-3H3,(H,16,19)(H,14,15,17)
InChIKeyUFUDNDMSJVAZQV-UHFFFAOYSA-N
XLogP1.10
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide (CID 50955885) is 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide is CC(NC(=O)C1CCN(C(C)C)CC1)c1ncn[nH]1.
What is the InChIKey of 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is UFUDNDMSJVAZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9(2)18-6-4-11(5-7-18)13(19)16-10(3)12-14-8-15-17-12/h8-11H,4-7H2,1-3H3,(H,16,19)(H,14,15,17).
What are the key properties of 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide?
1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 50955885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).