1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone

C17H32N4O3 — CID 120941025

IUPAC1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1CCN(C(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H32N4O3/c1-3-19(4-2)13-15(22)20-7-9-21(10-8-20)16(23)17(14-18)5-11-24-12-6-17/h3-14,18H2,1-2H3
InChIKeyJUUZQDFDIPIKNC-UHFFFAOYSA-N
MW340.47 g/mol
LogP-0.25
Rot. Bonds6

About 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone

1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone (PubChem CID 120941025) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
PubChem CID120941025
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)N1CCN(C(=O)C2(CN)CCOCC2)CC1
InChIInChI=1S/C17H32N4O3/c1-3-19(4-2)13-15(22)20-7-9-21(10-8-20)16(23)17(14-18)5-11-24-12-6-17/h3-14,18H2,1-2H3
InChIKeyJUUZQDFDIPIKNC-UHFFFAOYSA-N
XLogP-0.25
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
4-[4-(aminomethyl)oxane-4-carbonyl]-N-ethylpiperazine-1-carboxamide;hydrochloride
CID 120920168
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120930299
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 120929572
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120929707
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120932230
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 62367937
[4-(aminomethyl)oxan-4-yl]-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methanone
CID 120942772
[4-(aminomethyl)oxan-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120925779
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone?
The IUPAC name of 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone (CID 120941025) is 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone.
What is the SMILES notation for 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone?
The canonical SMILES for 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone is CCN(CC)CC(=O)N1CCN(C(=O)C2(CN)CCOCC2)CC1.
What is the InChIKey of 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone?
The InChIKey is JUUZQDFDIPIKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-3-19(4-2)13-15(22)20-7-9-21(10-8-20)16(23)17(14-18)5-11-24-12-6-17/h3-14,18H2,1-2H3.
What are the key properties of 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone?
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone has a molecular weight of 340.47 g/mol, XLogP of -0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(diethylamino)ethanone is sourced from PubChem (CID 120941025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).