1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one

C19H28N2O — CID 45245914

IUPAC1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H28N2O/c1-4-5-8-19(22)21-13-6-7-18(14-21)20-17-11-9-16(10-12-17)15(2)3/h4,9-12,15,18,20H,1,5-8,13-14H2,2-3H3
InChIKeyDLNZQALVTRMUQP-UHFFFAOYSA-N
MW300.45 g/mol
LogP4.18
Rot. Bonds6

About 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one

1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one (PubChem CID 45245914) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one.

Molecular Properties

Compound Name1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one
PubChem CID45245914
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one
SMILESC=CCCC(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1
InChIInChI=1S/C19H28N2O/c1-4-5-8-19(22)21-13-6-7-18(14-21)20-17-11-9-16(10-12-17)15(2)3/h4,9-12,15,18,20H,1,5-8,13-14H2,2-3H3
InChIKeyDLNZQALVTRMUQP-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methylsulfanyl-1-[3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone
CID 45190494
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126
1-[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]pent-4-en-1-one
CID 42292796
3-[3-oxo-3-[(3R)-3-(4-propan-2-ylanilino)piperidin-1-yl]propyl]-4,5-dihydro-1H-pyridazin-6-one
CID 42454819
ethyl 2-[[(3S)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]amino]acetate
CID 42193925
1-[4-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 45235641
methyl 4-[(3R)-3-(4-propan-2-ylanilino)piperidine-1-carbonyl]benzoate
CID 25275922
[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]-thiophen-3-ylmethanone
CID 26392166
isoquinolin-1-yl-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]methanone
CID 42240610
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
1-(3-anilinopyrrolidin-1-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 56504074
1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride
CID 119493166

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one?
The IUPAC name of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one (CID 45245914) is 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one.
What is the SMILES notation for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one?
The canonical SMILES for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one is C=CCCC(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1.
What is the InChIKey of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one?
The InChIKey is DLNZQALVTRMUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-4-5-8-19(22)21-13-6-7-18(14-21)20-17-11-9-16(10-12-17)15(2)3/h4,9-12,15,18,20H,1,5-8,13-14H2,2-3H3.
What are the key properties of 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one?
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one has a molecular weight of 300.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-ylanilino)piperidin-1-yl]pent-4-en-1-one is sourced from PubChem (CID 45245914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).