N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide

C24H35N5O — CID 34907224

IUPACN-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C(C)C)CC2)nc(C(C)C)n1
InChIInChI=1S/C24H35N5O/c1-18(2)24-25-20(5)15-22(26-24)28-13-11-27(12-14-28)17-23(30)29(19(3)4)16-21-9-7-6-8-10-21/h6-10,15,18-19H,11-14,16-17H2,1-5H3
InChIKeyBCULSFMKTFJHTC-UHFFFAOYSA-N
MW409.58 g/mol
LogP3.47
Rot. Bonds7

About N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide

N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 34907224) has the molecular formula C24H35N5O and a molecular weight of 409.58 g/mol. Its IUPAC name is N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID34907224
Molecular FormulaC24H35N5O
Molecular Weight409.58 g/mol
Exact Mass409.28
IUPAC NameN-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C(C)C)CC2)nc(C(C)C)n1
InChIInChI=1S/C24H35N5O/c1-18(2)24-25-20(5)15-22(26-24)28-13-11-27(12-14-28)17-23(30)29(19(3)4)16-21-9-7-6-8-10-21/h6-10,15,18-19H,11-14,16-17H2,1-5H3
InChIKeyBCULSFMKTFJHTC-UHFFFAOYSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 34907845
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 34907773
N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 86868293
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 26376619
N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907822
2-amino-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119837028
N-[2-(4-fluorophenyl)ethyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 18094607
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(3-phenoxyphenyl)acetamide
CID 55432259
N-[4-(diethylamino)phenyl]-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 24507299
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 26376603
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 51244375

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide (CID 34907224) is N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide is Cc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C(C)C)CC2)nc(C(C)C)n1.
What is the InChIKey of N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is BCULSFMKTFJHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O/c1-18(2)24-25-20(5)15-22(26-24)28-13-11-27(12-14-28)17-23(30)29(19(3)4)16-21-9-7-6-8-10-21/h6-10,15,18-19H,11-14,16-17H2,1-5H3.
What are the key properties of N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide?
N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 409.58 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 34907224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).