1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one

C18H33N3O3 — CID 122145538

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one
SMILESCCC1(CC)C(NC(C)C(=O)N2CCN(C(C)=O)CC2)CC1OC
InChIInChI=1S/C18H33N3O3/c1-6-18(7-2)15(12-16(18)24-5)19-13(3)17(23)21-10-8-20(9-11-21)14(4)22/h13,15-16,19H,6-12H2,1-5H3
InChIKeyFONYNSLRHJMBBO-UHFFFAOYSA-N
MW339.48 g/mol
LogP1.25
Rot. Bonds6

About 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one

1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one (PubChem CID 122145538) has the molecular formula C18H33N3O3 and a molecular weight of 339.48 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one
PubChem CID122145538
Molecular FormulaC18H33N3O3
Molecular Weight339.48 g/mol
Exact Mass339.25
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one
SMILESCCC1(CC)C(NC(C)C(=O)N2CCN(C(C)=O)CC2)CC1OC
InChIInChI=1S/C18H33N3O3/c1-6-18(7-2)15(12-16(18)24-5)19-13(3)17(23)21-10-8-20(9-11-21)14(4)22/h13,15-16,19H,6-12H2,1-5H3
InChIKeyFONYNSLRHJMBBO-UHFFFAOYSA-N
XLogP1.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one with MolForge

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Related Compounds

(2R)-2-amino-N-(2,2-diethyl-3-methoxycyclobutyl)propanamide
CID 119345408
2,2-diethyl-3-methoxy-N-(3-methylbutan-2-yl)cyclobutan-1-amine
CID 115894259
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-1-morpholin-4-ylpropan-1-one
CID 103742148
(2S)-1-[[(1R,3S)-2,2-diethyl-3-methoxycyclobutyl]amino]propan-2-ol
CID 98870358
N-[(1R,3R)-2,2-diethyl-3-methoxycyclobutyl]-1-hydroxycyclobutane-1-carboxamide
CID 99778007
2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 115906289
3-amino-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119821917
N-(2,2-diethyl-3-methoxycyclobutyl)-4-(1,2,4-triazol-1-yl)piperidine-1-carboxamide
CID 71915486
N-(2,2-diethyl-3-methoxycyclobutyl)-4-methoxypiperidine-4-carboxamide
CID 119821940
[1-[(2,2-diethyl-3-methoxycyclobutyl)amino]cyclopropyl]methanol
CID 115929608
4-[(2,2-diethyl-3-methoxycyclobutyl)carbamoylamino]butanoic acid
CID 122006951
(2S)-2-[[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 99799998

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one (CID 122145538) is 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one is CCC1(CC)C(NC(C)C(=O)N2CCN(C(C)=O)CC2)CC1OC.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one?
The InChIKey is FONYNSLRHJMBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O3/c1-6-18(7-2)15(12-16(18)24-5)19-13(3)17(23)21-10-8-20(9-11-21)14(4)22/h13,15-16,19H,6-12H2,1-5H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one?
1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one has a molecular weight of 339.48 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(2,2-diethyl-3-methoxycyclobutyl)amino]propan-1-one is sourced from PubChem (CID 122145538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).