3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

C17H31N3O — CID 43768079

IUPAC3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)=CCN1CCC(NCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-15(2)6-12-19-13-7-16(8-14-19)18-9-5-17(21)20-10-3-4-11-20/h6,16,18H,3-5,7-14H2,1-2H3
InChIKeyKYVBWGSNXHFDQV-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.02
Rot. Bonds6

About 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43768079) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43768079
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)=CCN1CCC(NCCC(=O)N2CCCC2)CC1
InChIInChI=1S/C17H31N3O/c1-15(2)6-12-19-13-7-16(8-14-19)18-9-5-17(21)20-10-3-4-11-20/h6,16,18H,3-5,7-14H2,1-2H3
InChIKeyKYVBWGSNXHFDQV-UHFFFAOYSA-N
XLogP2.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanoate
CID 43774735
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-N-propan-2-ylpropanamide
CID 115709099
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
ethyl 4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxylate
CID 43768044
N-ethyl-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43755150
1-(3-methylbut-2-enyl)-N-octylpiperidin-4-amine
CID 115566614
4-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butan-2-ol
CID 64911106
6-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]hexan-1-ol
CID 103922270
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-pyrrolidin-1-yl-3-(pyrrolidin-3-ylamino)propan-1-one
CID 79724661
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 43768079) is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(C)=CCN1CCC(NCCC(=O)N2CCCC2)CC1.
What is the InChIKey of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is KYVBWGSNXHFDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-15(2)6-12-19-13-7-16(8-14-19)18-9-5-17(21)20-10-3-4-11-20/h6,16,18H,3-5,7-14H2,1-2H3.
What are the key properties of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 293.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 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]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43768079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).