1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one

C17H24N2O3 — CID 174757268

IUPAC1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)C1CCN(C(=O)N2CCC(C(=O)C=C)CC2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-15(20)13-5-9-18(10-6-13)17(22)19-11-7-14(8-12-19)16(21)4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyBRYRLWOUYVDIGG-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.04
Rot. Bonds4

About 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one

1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one (PubChem CID 174757268) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one
PubChem CID174757268
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one
SMILESC=CC(=O)C1CCN(C(=O)N2CCC(C(=O)C=C)CC2)CC1
InChIInChI=1S/C17H24N2O3/c1-3-15(20)13-5-9-18(10-6-13)17(22)19-11-7-14(8-12-19)16(21)4-2/h3-4,13-14H,1-2,5-12H2
InChIKeyBRYRLWOUYVDIGG-UHFFFAOYSA-N
XLogP2.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 60948651
5-prop-2-enoylcyclooctane-1-carboxylic acid
CID 155138380
(4-hydroxypiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 112725643
4-prop-2-enoylcyclooctane-1-carboxylic acid
CID 138456010
1-[4-(aminomethyl)cyclohexyl]prop-2-en-1-one
CID 116592380
4-prop-2-enoylcycloundecane-1-carboxylic acid
CID 167291124
1-(4-methylpiperidine-1-carbonyl)piperidine-4-carboxamide
CID 115575168
2-[methyl-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]acetic acid
CID 119136399
1-(3-methylcyclopentyl)prop-2-en-1-one
CID 21394641
1-[(2E)-2-ethenylpenta-2,4-dienoyl]pyrrolidine-3-carboxylic acid
CID 144839908
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-(3,5-dimethylcyclohexyl)prop-2-en-1-one
CID 103453666

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one?
The IUPAC name of 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one (CID 174757268) is 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one?
The canonical SMILES for 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one is C=CC(=O)C1CCN(C(=O)N2CCC(C(=O)C=C)CC2)CC1.
What is the InChIKey of 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one?
The InChIKey is BRYRLWOUYVDIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-3-15(20)13-5-9-18(10-6-13)17(22)19-11-7-14(8-12-19)16(21)4-2/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one?
1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one has a molecular weight of 304.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-prop-2-enoylpiperidine-1-carbonyl)piperidin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 174757268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).