N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

C26H37N7O3 — CID 126578135

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)N(C)C)CC4)CC3)n2)cc1
InChIInChI=1S/C26H37N7O3/c1-19-4-6-20(7-5-19)23-16-27-30-26(29-23)33-14-12-32(13-15-33)17-24(34)28-21-8-10-22(11-9-21)36-18-25(35)31(2)3/h4-7,16,21-22H,8-15,17-18H2,1-3H3,(H,28,34)
InChIKeyOLQBMXCIKHGYRS-UHFFFAOYSA-N
MW495.63 g/mol
LogP1.50
Rot. Bonds8

About N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (PubChem CID 126578135) has the molecular formula C26H37N7O3 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
PubChem CID126578135
Molecular FormulaC26H37N7O3
Molecular Weight495.63 g/mol
Exact Mass495.30
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)N(C)C)CC4)CC3)n2)cc1
InChIInChI=1S/C26H37N7O3/c1-19-4-6-20(7-5-19)23-16-27-30-26(29-23)33-14-12-32(13-15-33)17-24(34)28-21-8-10-22(11-9-21)36-18-25(35)31(2)3/h4-7,16,21-22H,8-15,17-18H2,1-3H3,(H,28,34)
InChIKeyOLQBMXCIKHGYRS-UHFFFAOYSA-N
XLogP1.50
TPSA103.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (CID 126578135) is N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is Cc1ccc(-c2cnnc(N3CCN(CC(=O)NC4CCC(OCC(=O)N(C)C)CC4)CC3)n2)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is OLQBMXCIKHGYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O3/c1-19-4-6-20(7-5-19)23-16-27-30-26(29-23)33-14-12-32(13-15-33)17-24(34)28-21-8-10-22(11-9-21)36-18-25(35)31(2)3/h4-7,16,21-22H,8-15,17-18H2,1-3H3,(H,28,34).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 495.63 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]cyclohexyl]-2-[4-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 126578135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).