2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C19H29N3O2 — CID 78782303

IUPAC2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCCOc1ccccc1N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-24-18-9-5-4-8-17(18)21-14-12-20(13-15-21)16-19(23)22-10-6-3-7-11-22/h4-5,8-9H,2-3,6-7,10-16H2,1H3
InChIKeyJNMHEDQZHGVZCR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 78782303) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID78782303
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCCOc1ccccc1N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-2-24-18-9-5-4-8-17(18)21-14-12-20(13-15-21)16-19(23)22-10-6-3-7-11-22/h4-5,8-9H,2-3,6-7,10-16H2,1H3
InChIKeyJNMHEDQZHGVZCR-UHFFFAOYSA-N
XLogP2.22
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 78815634
4-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-oxobutanoic acid
CID 4605707
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone
CID 8703557
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 42531125
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 78639794
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 41337436
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
3-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 110185748
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
N-(4-acetylphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703707

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 78782303) is 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone is CCOc1ccccc1N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is JNMHEDQZHGVZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-2-24-18-9-5-4-8-17(18)21-14-12-20(13-15-21)16-19(23)22-10-6-3-7-11-22/h4-5,8-9H,2-3,6-7,10-16H2,1H3.
What are the key properties of 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 331.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 78782303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).