4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one

C14H25NO — CID 114477931

IUPAC4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C14H25NO/c1-4-8-14(9-5-10-15-11-14)13(16)7-6-12(2)3/h15H,2,4-11H2,1,3H3
InChIKeyNSOGSHHJMHVRCC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.08
Rot. Bonds6

About 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one

4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one (PubChem CID 114477931) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one.

Molecular Properties

Compound Name4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one
PubChem CID114477931
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one
SMILESC=C(C)CCC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C14H25NO/c1-4-8-14(9-5-10-15-11-14)13(16)7-6-12(2)3/h15H,2,4-11H2,1,3H3
InChIKeyNSOGSHHJMHVRCC-UHFFFAOYSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone
CID 176883295
1-(3-Methylpiperidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130565002
4-Methylidene-8-azaspiro[4.5]decan-2-one
CID 19887356
3-Methyl-1-piperidin-4-ylbut-3-en-1-one
CID 20735305
3-Methyl-3-prop-2-enylpiperidin-4-one
CID 21652418
3,3,5-Tris(prop-2-enyl)piperidin-4-one
CID 69092834
3-Oct-1-en-4-ylpiperidin-4-one
CID 69353919
(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one
CID 71486759
1-(5-Methylidenepiperidin-3-yl)ethanone
CID 91206668
2-Methyl-5-piperidin-4-ylpent-1-en-3-one
CID 116563372
2,2-Dimethyl-1-(3-methylpiperidin-3-yl)propan-1-one
CID 116569473
(5Z)-5-(dimethylaminomethylidene)-3-azaspiro[5.5]undecan-9-one
CID 141347107

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one?
The IUPAC name of 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one (CID 114477931) is 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one.
What is the SMILES notation for 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one?
The canonical SMILES for 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one is C=C(C)CCC(=O)C1(CCC)CCCNC1.
What is the InChIKey of 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one?
The InChIKey is NSOGSHHJMHVRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-8-14(9-5-10-15-11-14)13(16)7-6-12(2)3/h15H,2,4-11H2,1,3H3.
What are the key properties of 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one?
4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-propylpiperidin-3-yl)pent-4-en-1-one is sourced from PubChem (CID 114477931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).