N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide

C19H33N5O2 — CID 45171750

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CC1C(=O)NCCN1CCC(C)C
InChIInChI=1S/C19H33N5O2/c1-13(2)6-10-24-11-8-20-19(26)17(24)12-18(25)23(5)9-7-16-14(3)21-22-15(16)4/h13,17H,6-12H2,1-5H3,(H,20,26)(H,21,22)
InChIKeyGFCDVDADBIQKMJ-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.26
Rot. Bonds8

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 45171750) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID45171750
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCc1n[nH]c(C)c1CCN(C)C(=O)CC1C(=O)NCCN1CCC(C)C
InChIInChI=1S/C19H33N5O2/c1-13(2)6-10-24-11-8-20-19(26)17(24)12-18(25)23(5)9-7-16-14(3)21-22-15(16)4/h13,17H,6-12H2,1-5H3,(H,20,26)(H,21,22)
InChIKeyGFCDVDADBIQKMJ-UHFFFAOYSA-N
XLogP1.26
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (CID 45171750) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is Cc1n[nH]c(C)c1CCN(C)C(=O)CC1C(=O)NCCN1CCC(C)C.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is GFCDVDADBIQKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-13(2)6-10-24-11-8-20-19(26)17(24)12-18(25)23(5)9-7-16-14(3)21-22-15(16)4/h13,17H,6-12H2,1-5H3,(H,20,26)(H,21,22).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 363.51 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45171750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).