N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride

C18H26ClN3O2 — CID 110282667

IUPACN-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CC1NCCN(CC2CC2)C1=O.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-20(12-14-5-3-2-4-6-14)17(22)11-16-18(23)21(10-9-19-16)13-15-7-8-15;/h2-6,15-16,19H,7-13H2,1H3;1H
InChIKeyYIAAGDVJTOFQBA-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.67
Rot. Bonds6

About N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride

N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride (PubChem CID 110282667) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
PubChem CID110282667
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
SMILESCN(Cc1ccccc1)C(=O)CC1NCCN(CC2CC2)C1=O.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-20(12-14-5-3-2-4-6-14)17(22)11-16-18(23)21(10-9-19-16)13-15-7-8-15;/h2-6,15-16,19H,7-13H2,1H3;1H
InChIKeyYIAAGDVJTOFQBA-UHFFFAOYSA-N
XLogP1.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
N-benzyl-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119669861
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 110283482
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
2-[(3S)-2-oxo-3-(2-oxo-2-phenylmethoxyethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 70046324
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride?
The IUPAC name of N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride (CID 110282667) is N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride is CN(Cc1ccccc1)C(=O)CC1NCCN(CC2CC2)C1=O.Cl.
What is the InChIKey of N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride?
The InChIKey is YIAAGDVJTOFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-20(12-14-5-3-2-4-6-14)17(22)11-16-18(23)21(10-9-19-16)13-15-7-8-15;/h2-6,15-16,19H,7-13H2,1H3;1H.
What are the key properties of N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride?
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 110282667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).