N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide

C22H29N5O — CID 86868293

IUPACN-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C3CC3)CC2)nc(C)n1
InChIInChI=1S/C22H29N5O/c1-17-14-21(24-18(2)23-17)26-12-10-25(11-13-26)16-22(28)27(20-8-9-20)15-19-6-4-3-5-7-19/h3-7,14,20H,8-13,15-16H2,1-2H3
InChIKeyGJTRRNUYXHVZCT-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.41
Rot. Bonds6

About N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide

N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide (PubChem CID 86868293) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
PubChem CID86868293
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
SMILESCc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C3CC3)CC2)nc(C)n1
InChIInChI=1S/C22H29N5O/c1-17-14-21(24-18(2)23-17)26-12-10-25(11-13-26)16-22(28)27(20-8-9-20)15-19-6-4-3-5-7-19/h3-7,14,20H,8-13,15-16H2,1-2H3
InChIKeyGJTRRNUYXHVZCT-UHFFFAOYSA-N
XLogP2.41
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 86983807
N-benzyl-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 34907224
2-[4-(2,6-dimethylpyrimidin-4-yl)-1,4-diazepan-1-yl]acetic acid
CID 55118911
N-benzyl-N-cyclopropyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 60501987
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86868261
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
2,4-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine;hydrochloride
CID 16805641
2-amino-N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-phenylpropanamide;dihydrochloride
CID 119897662
(3S,4S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954000
ethyl 4-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]piperazine-1-carboxylate
CID 112917074
(3S,4S)-1-[2-[benzyl(cyclopropyl)amino]-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120953999

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide (CID 86868293) is N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide is Cc1cc(N2CCN(CC(=O)N(Cc3ccccc3)C3CC3)CC2)nc(C)n1.
What is the InChIKey of N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
The InChIKey is GJTRRNUYXHVZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-17-14-21(24-18(2)23-17)26-12-10-25(11-13-26)16-22(28)27(20-8-9-20)15-19-6-4-3-5-7-19/h3-7,14,20H,8-13,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide?
N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide has a molecular weight of 379.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86868293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).