benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate

C24H32N6O3 — CID 122339805

IUPACbenzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H32N6O3/c1-19-16-21(27-23(26-19)30-10-6-3-7-11-30)28-12-14-29(15-13-28)22(31)17-25-24(32)33-18-20-8-4-2-5-9-20/h2,4-5,8-9,16H,3,6-7,10-15,17-18H2,1H3,(H,25,32)
InChIKeyFUAJLQFGZQGOTO-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.35
Rot. Bonds6

About benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate

benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate (PubChem CID 122339805) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
PubChem CID122339805
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Namebenzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
SMILESCc1cc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H32N6O3/c1-19-16-21(27-23(26-19)30-10-6-3-7-11-30)28-12-14-29(15-13-28)22(31)17-25-24(32)33-18-20-8-4-2-5-9-20/h2,4-5,8-9,16H,3,6-7,10-15,17-18H2,1H3,(H,25,32)
InChIKeyFUAJLQFGZQGOTO-UHFFFAOYSA-N
XLogP2.35
TPSA90.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

benzyl N-[2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate
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benzyl N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methylamino]-2-oxoethyl]carbamate
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benzyl N-[2-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 122336449
benzyl N-[2-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]-2-oxoethyl]carbamate
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benzyl N-[2-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
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1-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 121031877
benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
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2-(2-methylphenoxy)-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122339470
1-[4-[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112914873
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
2-(2-fluorophenoxy)-1-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122339473
1-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate (CID 122339805) is benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate is Cc1cc(N2CCN(C(=O)CNC(=O)OCc3ccccc3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is FUAJLQFGZQGOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-19-16-21(27-23(26-19)30-10-6-3-7-11-30)28-12-14-29(15-13-28)22(31)17-25-24(32)33-18-20-8-4-2-5-9-20/h2,4-5,8-9,16H,3,6-7,10-15,17-18H2,1H3,(H,25,32).
What are the key properties of benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate?
benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 452.56 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 122339805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).