N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C15H27N5O — CID 72927971

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-5-20-14(16-10-17-20)12(4)18-15(21)13-6-8-19(9-7-13)11(2)3/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyPITAWFVBKFLTOJ-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.60
Rot. Bonds5

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72927971) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72927971
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCn1ncnc1C(C)NC(=O)C1CCN(C(C)C)CC1
InChIInChI=1S/C15H27N5O/c1-5-20-14(16-10-17-20)12(4)18-15(21)13-6-8-19(9-7-13)11(2)3/h10-13H,5-9H2,1-4H3,(H,18,21)
InChIKeyPITAWFVBKFLTOJ-UHFFFAOYSA-N
XLogP1.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 72927971) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is CCn1ncnc1C(C)NC(=O)C1CCN(C(C)C)CC1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is PITAWFVBKFLTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-5-20-14(16-10-17-20)12(4)18-15(21)13-6-8-19(9-7-13)11(2)3/h10-13H,5-9H2,1-4H3,(H,18,21).
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72927971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).