N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

C18H32N6O2 — CID 56883231

IUPACN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C18H32N6O2/c1-13(2)6-8-23-9-7-19-18(26)15(23)10-17(25)22(5)11-16-21-20-12-24(16)14(3)4/h12-15H,6-11H2,1-5H3,(H,19,26)
InChIKeyVFBBPYNQQHCDKS-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.05
Rot. Bonds8

About N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide

N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 56883231) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID56883231
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nncn1C(C)C
InChIInChI=1S/C18H32N6O2/c1-13(2)6-8-23-9-7-19-18(26)15(23)10-17(25)22(5)11-16-21-20-12-24(16)14(3)4/h12-15H,6-11H2,1-5H3,(H,19,26)
InChIKeyVFBBPYNQQHCDKS-UHFFFAOYSA-N
XLogP1.05
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpiperidine-3-carboxamide
CID 47000434
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 50970582
2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56891368
2-[1-(3-methyl-2-buten-1-yl)-3-oxo-2-piperazinyl]-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56905722
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 56917479
1-(2-amino-2-oxoethyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 70752710
1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-N-methylpiperidine-1,4-dicarboxamide
CID 71892913
1-(cyclopropylcarbonyl)-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72839810
1-(cyclopropylcarbonyl)-N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]-4-piperidinecarboxamide
CID 72852342
N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72872954
1-cyclohexyl-N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72888150
1-isopropyl-N-[1-(1-propyl-1H-1,2,4-triazol-5-yl)ethyl]-4-piperidinecarboxamide
CID 72907236

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide (CID 56883231) is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1nncn1C(C)C.
What is the InChIKey of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is VFBBPYNQQHCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-13(2)6-8-23-9-7-19-18(26)15(23)10-17(25)22(5)11-16-21-20-12-24(16)14(3)4/h12-15H,6-11H2,1-5H3,(H,19,26).
What are the key properties of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide?
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 56883231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).