1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one

C14H24N2O — CID 119489018

IUPAC1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
SMILESC=CCC(CC=C)C(=O)N1CCCC(NC)C1
InChIInChI=1S/C14H24N2O/c1-4-7-12(8-5-2)14(17)16-10-6-9-13(11-16)15-3/h4-5,12-13,15H,1-2,6-11H2,3H3
InChIKeyCNELQAVLBZKPCK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.97
Rot. Bonds6

About 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one

1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one (PubChem CID 119489018) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
PubChem CID119489018
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
SMILESC=CCC(CC=C)C(=O)N1CCCC(NC)C1
InChIInChI=1S/C14H24N2O/c1-4-7-12(8-5-2)14(17)16-10-6-9-13(11-16)15-3/h4-5,12-13,15H,1-2,6-11H2,3H3
InChIKeyCNELQAVLBZKPCK-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.97
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

2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride
CID 119493166
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-prop-2-enylpent-4-en-1-one
CID 119484224
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one (CID 119489018) is 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one is C=CCC(CC=C)C(=O)N1CCCC(NC)C1.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
The InChIKey is CNELQAVLBZKPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-7-12(8-5-2)14(17)16-10-6-9-13(11-16)15-3/h4-5,12-13,15H,1-2,6-11H2,3H3.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one?
1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one is sourced from PubChem (CID 119489018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).