2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone

C16H31N3O — CID 81172458

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)14-6-10-19(11-7-14)15(20)12-16(13-17)8-5-9-16/h14H,3-13,17H2,1-2H3
InChIKeyLKJKJUAWAKSUQC-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.84
Rot. Bonds6

About 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone

2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone (PubChem CID 81172458) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
PubChem CID81172458
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone
SMILESCCN(CC)C1CCN(C(=O)CC2(CN)CCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-18(4-2)14-6-10-19(11-7-14)15(20)12-16(13-17)8-5-9-16/h14H,3-13,17H2,1-2H3
InChIKeyLKJKJUAWAKSUQC-UHFFFAOYSA-N
XLogP1.84
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
2-[1-(aminomethyl)cyclohexyl]-1-(4-methoxypiperidin-1-yl)ethanone
CID 104677563
2-[1-(aminomethyl)cyclobutyl]-1-[4-(2-ethoxyethoxy)piperidin-1-yl]ethanone
CID 81172632
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413
2-[1-(aminomethyl)cyclobutyl]-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 107219405
2-[1-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperidin-4-yl]oxyacetic acid
CID 81169643
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
2-[1-(aminomethyl)cyclobutyl]-1-(4-butan-2-ylpiperazin-1-yl)ethanone
CID 81168994
2-[1-(aminomethyl)cyclohexyl]-1-(3-propylpyrrolidin-1-yl)ethanone
CID 104678660
4-[2-[1-(aminomethyl)cyclobutyl]acetyl]piperazine-1-sulfonamide
CID 81172470

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone (CID 81172458) is 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone is CCN(CC)C1CCN(C(=O)CC2(CN)CCC2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone?
The InChIKey is LKJKJUAWAKSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-18(4-2)14-6-10-19(11-7-14)15(20)12-16(13-17)8-5-9-16/h14H,3-13,17H2,1-2H3.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-[4-(diethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 81172458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).