N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

C22H34N4O3 — CID 30672521

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-29-20-8-4-3-7-19(20)9-10-23-21(27)17-24-13-15-25(16-14-24)18-22(28)26-11-5-2-6-12-26/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,23,27)
InChIKeyZNGOKOUWHCNXMH-UHFFFAOYSA-N
MW402.54 g/mol
LogP0.98
Rot. Bonds8

About N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide

N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (PubChem CID 30672521) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
PubChem CID30672521
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C22H34N4O3/c1-29-20-8-4-3-7-19(20)9-10-23-21(27)17-24-13-15-25(16-14-24)18-22(28)26-11-5-2-6-12-26/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,23,27)
InChIKeyZNGOKOUWHCNXMH-UHFFFAOYSA-N
XLogP0.98
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
2-(azocan-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 51170947
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-phenoxyethyl)piperazin-1-yl]acetamide
CID 8549824
1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-N-propylpiperidine-4-carboxamide
CID 134046460
N-[(2-methoxyphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 8901770
3-(4-acetylpiperazin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 109018289
N-[(2-methylphenyl)methyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30738049
N-[2-(2-methoxyphenyl)ethyl]-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146911
2-(2,5-dimethylpyrrol-1-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110688799
N-[[1-[3-(2-methoxyphenyl)propanoyl]piperidin-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 131900813
N-[[2-(methoxymethyl)phenyl]methyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112841290

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide (CID 30672521) is N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is COc1ccccc1CCNC(=O)CN1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
The InChIKey is ZNGOKOUWHCNXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-29-20-8-4-3-7-19(20)9-10-23-21(27)17-24-13-15-25(16-14-24)18-22(28)26-11-5-2-6-12-26/h3-4,7-8H,2,5-6,9-18H2,1H3,(H,23,27).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide has a molecular weight of 402.54 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 30672521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).