3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide

C16H31N3O — CID 115709099

IUPAC3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)=CCN1CCC(NCCC(=O)NC(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)6-10-19-11-7-15(8-12-19)17-9-5-16(20)18-14(3)4/h6,14-15,17H,5,7-12H2,1-4H3,(H,18,20)
InChIKeyAQHMEQCMUSQBOK-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.92
Rot. Bonds7

About 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide (PubChem CID 115709099) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
PubChem CID115709099
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)=CCN1CCC(NCCC(=O)NC(C)C)CC1
InChIInChI=1S/C16H31N3O/c1-13(2)6-10-19-11-7-15(8-12-19)17-9-5-16(20)18-14(3)4/h6,14-15,17H,5,7-12H2,1-4H3,(H,18,20)
InChIKeyAQHMEQCMUSQBOK-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide with MolForge

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Related Compounds

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 43768079
methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
CID 115899595
N-propan-2-yl-3-[4-(propylamino)piperidin-1-yl]propanamide
CID 62624983
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
CID 113410047
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]amino]propanamide
CID 103779047
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide (CID 115709099) is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide is CC(C)=CCN1CCC(NCCC(=O)NC(C)C)CC1.
What is the InChIKey of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide?
The InChIKey is AQHMEQCMUSQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(2)6-10-19-11-7-15(8-12-19)17-9-5-16(20)18-14(3)4/h6,14-15,17H,5,7-12H2,1-4H3,(H,18,20).
What are the key properties of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide?
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide has a molecular weight of 281.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 115709099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).