N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide

C20H33N5O2 — CID 45183709

IUPACN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C20H33N5O2/c1-14(2)8-10-25-11-9-21-20(27)18(25)12-19(26)24(3)13-17-15-6-4-5-7-16(15)22-23-17/h14,18H,4-13H2,1-3H3,(H,21,27)(H,22,23)
InChIKeyFOAJKHBUENEMPP-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.48
Rot. Bonds7

About N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide

N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide (PubChem CID 45183709) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
PubChem CID45183709
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC NameN-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1n[nH]c2c1CCCC2
InChIInChI=1S/C20H33N5O2/c1-14(2)8-10-25-11-9-21-20(27)18(25)12-19(26)24(3)13-17-15-6-4-5-7-16(15)22-23-17/h14,18H,4-13H2,1-3H3,(H,21,27)(H,22,23)
InChIKeyFOAJKHBUENEMPP-UHFFFAOYSA-N
XLogP1.48
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide (CID 45183709) is N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)N(C)Cc1n[nH]c2c1CCCC2.
What is the InChIKey of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
The InChIKey is FOAJKHBUENEMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-14(2)8-10-25-11-9-21-20(27)18(25)12-19(26)24(3)13-17-15-6-4-5-7-16(15)22-23-17/h14,18H,4-13H2,1-3H3,(H,21,27)(H,22,23).
What are the key properties of N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide?
N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide has a molecular weight of 375.52 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)acetamide is sourced from PubChem (CID 45183709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).