1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone

C21H38N4O3 — CID 120646385

IUPAC1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)C3(COC)CCNCC3)CC2)CC1
InChIInChI=1S/C21H38N4O3/c1-3-23-12-14-24(15-13-23)19(26)16-18-4-10-25(11-5-18)20(27)21(17-28-2)6-8-22-9-7-21/h18,22H,3-17H2,1-2H3
InChIKeySNXLCYKUFUZJEP-UHFFFAOYSA-N
MW394.56 g/mol
LogP0.80
Rot. Bonds6

About 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone

1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone (PubChem CID 120646385) has the molecular formula C21H38N4O3 and a molecular weight of 394.56 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
PubChem CID120646385
Molecular FormulaC21H38N4O3
Molecular Weight394.56 g/mol
Exact Mass394.29
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)C3(COC)CCNCC3)CC2)CC1
InChIInChI=1S/C21H38N4O3/c1-3-23-12-14-24(15-13-23)19(26)16-18-4-10-25(11-5-18)20(27)21(17-28-2)6-8-22-9-7-21/h18,22H,3-17H2,1-2H3
InChIKeySNXLCYKUFUZJEP-UHFFFAOYSA-N
XLogP0.80
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.56
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone with MolForge

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Related Compounds

2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 120640227
[4-(diethylaminomethyl)piperidin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120642749
[4-(2-methoxyethyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120640752
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
[4-(methoxymethyl)piperidin-4-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 120633382
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516
1-(4-ethylpiperazin-1-yl)-2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]ethanone
CID 120900089
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
N-cyclohexyl-2-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-N-methylacetamide
CID 120646192
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone (CID 120646385) is 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone is CCN1CCN(C(=O)CC2CCN(C(=O)C3(COC)CCNCC3)CC2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone?
The InChIKey is SNXLCYKUFUZJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3/c1-3-23-12-14-24(15-13-23)19(26)16-18-4-10-25(11-5-18)20(27)21(17-28-2)6-8-22-9-7-21/h18,22H,3-17H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone?
1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone has a molecular weight of 394.56 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[1-[4-(methoxymethyl)piperidine-4-carbonyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 120646385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).