1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone

C12H24N2O — CID 43223288

IUPAC1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)13-12-5-7-14(8-6-12)11(4)15/h9-10,12-13H,5-8H2,1-4H3
InChIKeyWTGPFXPFQTWNNK-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds3

About 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone

1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone (PubChem CID 43223288) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
PubChem CID43223288
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)C(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-9(2)10(3)13-12-5-7-14(8-6-12)11(4)15/h9-10,12-13H,5-8H2,1-4H3
InChIKeyWTGPFXPFQTWNNK-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]methanone
CID 43747885
ethyl 4-(3-methylbutan-2-ylamino)piperidine-1-carboxylate
CID 43196751
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
1-[4-(2,6-dimethylheptan-4-ylamino)piperidin-1-yl]ethanone
CID 43745923
N-(3-methylbutan-2-yl)cyclopropanamine
CID 16772546
1-cyclopropyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43747064
N-(1-acetylpiperidin-4-yl)-2-(methylamino)propanamide
CID 62639484
N-(1-acetylpiperidin-4-yl)-2-methoxypropanamide
CID 47308595
1-[4-[(1-propan-2-ylpiperidin-4-yl)amino]piperidin-1-yl]ethanone
CID 43223565
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
1-[4-[[(Z)-2-hydrazinylethenyl]amino]piperidin-1-yl]ethanone;2-methylpropane
CID 145229928

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone (CID 43223288) is 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)C(C)C)CC1.
What is the InChIKey of 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone?
The InChIKey is WTGPFXPFQTWNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)10(3)13-12-5-7-14(8-6-12)11(4)15/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone?
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43223288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).