N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide

C18H27N3O3 — CID 110283222

IUPACN-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCN(CCO)C(=O)CC1NCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C18H27N3O3/c1-20(12-13-22)17(23)14-16-18(24)21(11-9-19-16)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,16,19,22H,5,8-14H2,1H3
InChIKeyPIONWMJLBSAJRH-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.26
Rot. Bonds8

About N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide

N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide (PubChem CID 110283222) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
PubChem CID110283222
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
SMILESCN(CCO)C(=O)CC1NCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C18H27N3O3/c1-20(12-13-22)17(23)14-16-18(24)21(11-9-19-16)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,16,19,22H,5,8-14H2,1H3
InChIKeyPIONWMJLBSAJRH-UHFFFAOYSA-N
XLogP0.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide;hydrochloride
CID 110283271
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
CID 110283149
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
CID 110282667
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
N-methyl-2-[(2S)-3-oxo-1-(3-phenylpropyl)piperazin-2-yl]-N-(2-phenylethyl)acetamide
CID 26321988
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
N,N-dimethyl-2-(3-oxo-4-propylpiperazin-2-yl)acetamide;hydrochloride
CID 110282730
3-(3-aminopropyl)-1-(2-phenylethyl)piperazin-2-one
CID 141062429
3-[4-(dimethylamino)butyl]-5-(2-phenylethyl)imidazolidin-4-one
CID 114923850
N,N-dimethyl-2-(3-oxo-4-pent-4-enylpiperazin-2-yl)acetamide;hydrochloride
CID 110283705
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide (CID 110283222) is N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide is CN(CCO)C(=O)CC1NCCN(CCCc2ccccc2)C1=O.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide?
The InChIKey is PIONWMJLBSAJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(12-13-22)17(23)14-16-18(24)21(11-9-19-16)10-5-8-15-6-3-2-4-7-15/h2-4,6-7,16,19,22H,5,8-14H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide?
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 0.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide is sourced from PubChem (CID 110283222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).