1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one

C15H24N2O3 — CID 154876937

IUPAC1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(C(=O)N2CCC(CC(C)O)CC2)C1
InChIInChI=1S/C15H24N2O3/c1-3-14(19)17-9-13(10-17)15(20)16-6-4-12(5-7-16)8-11(2)18/h3,11-13,18H,1,4-10H2,2H3
InChIKeyYQKWJFAYTFNJMR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.64
Rot. Bonds4

About 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one

1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one (PubChem CID 154876937) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
PubChem CID154876937
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CC(C(=O)N2CCC(CC(C)O)CC2)C1
InChIInChI=1S/C15H24N2O3/c1-3-14(19)17-9-13(10-17)15(20)16-6-4-12(5-7-16)8-11(2)18/h3,11-13,18H,1,4-10H2,2H3
InChIKeyYQKWJFAYTFNJMR-UHFFFAOYSA-N
XLogP0.64
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-prop-2-enoylpiperidin-4-yl)propanoic acid
CID 155822728
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112624811
N-(2-methylpropyl)-1-prop-2-enoylpyrrolidine-3-carboxamide
CID 169079209
1-[3-(2-methylpropyl)azetidin-1-yl]prop-2-en-1-one
CID 130318558
3-(2-hydroxypropyl)pyrrolidine-1-carboxamide
CID 89453120
1-[3-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)azetidin-1-yl]prop-2-en-1-one
CID 154877084
1-[3-[3-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
CID 167776797
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
1-[3-[(3E)-3-(1-fluoro-2-hydroxyethylidene)pyrrolidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one
CID 167768236
1-(3-butylpyrrolidin-1-yl)prop-2-en-1-one
CID 177023076
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one (CID 154876937) is 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CC(C(=O)N2CCC(CC(C)O)CC2)C1.
What is the InChIKey of 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one?
The InChIKey is YQKWJFAYTFNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-3-14(19)17-9-13(10-17)15(20)16-6-4-12(5-7-16)8-11(2)18/h3,11-13,18H,1,4-10H2,2H3.
What are the key properties of 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one?
1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one has a molecular weight of 280.37 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-hydroxypropyl)piperidine-1-carbonyl]azetidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 154876937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).