N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C14H25N5O2 — CID 136699289

IUPACN-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H25N5O2/c1-9(2)19-6-4-11(5-7-19)8-12(20)15-10(3)13-16-14(21)18-17-13/h9-11H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,21)/t10-/m1/s1
InChIKeyGEMQISIPLWNCGS-SNVBAGLBSA-N
MW295.39 g/mol
LogP0.79
Rot. Bonds5

About N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 136699289) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID136699289
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC NameN-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C14H25N5O2/c1-9(2)19-6-4-11(5-7-19)8-12(20)15-10(3)13-16-14(21)18-17-13/h9-11H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,21)/t10-/m1/s1
InChIKeyGEMQISIPLWNCGS-SNVBAGLBSA-N
XLogP0.79
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 136699289) is N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(CC(=O)N[C@H](C)c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is GEMQISIPLWNCGS-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9(2)19-6-4-11(5-7-19)8-12(20)15-10(3)13-16-14(21)18-17-13/h9-11H,4-8H2,1-3H3,(H,15,20)(H2,16,17,18,21)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 295.39 g/mol, XLogP of 0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 136699289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).