3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide

C15H29N3O — CID 106344140

IUPAC3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
SMILESCC(C)=CCN1CCC(NC(C(N)=O)C(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-11(2)5-8-18-9-6-13(7-10-18)17-14(12(3)4)15(16)19/h5,12-14,17H,6-10H2,1-4H3,(H2,16,19)
InChIKeyYLVALLFKKNDCKJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.52
Rot. Bonds6

About 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide

3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide (PubChem CID 106344140) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
PubChem CID106344140
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
SMILESCC(C)=CCN1CCC(NC(C(N)=O)C(C)C)CC1
InChIInChI=1S/C15H29N3O/c1-11(2)5-8-18-9-6-13(7-10-18)17-14(12(3)4)15(16)19/h5,12-14,17H,6-10H2,1-4H3,(H2,16,19)
InChIKeyYLVALLFKKNDCKJ-UHFFFAOYSA-N
XLogP1.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
CID 113250232
1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
CID 54954604
N-[(1R)-1-(furan-2-yl)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 81403840
3-methyl-2-[(4-propylcyclohexyl)amino]butanamide
CID 113233122
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
N-cyclobutyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 62415331
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
2,6-difluoro-N-[3-methyl-1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-oxobutan-2-yl]benzamide
CID 56569608
methyl (2S)-2-[(1-ethylpiperidin-4-yl)amino]propanoate
CID 43723592
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(3-methylbut-2-enyl)piperidin-4-yl]acetamide
CID 129489862

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
The IUPAC name of 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide (CID 106344140) is 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide.
What is the SMILES notation for 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
The canonical SMILES for 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide is CC(C)=CCN1CCC(NC(C(N)=O)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
The InChIKey is YLVALLFKKNDCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-11(2)5-8-18-9-6-13(7-10-18)17-14(12(3)4)15(16)19/h5,12-14,17H,6-10H2,1-4H3,(H2,16,19).
What are the key properties of 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide has a molecular weight of 267.42 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide is sourced from PubChem (CID 106344140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).