1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one

C20H26N2O3 — CID 166420181

IUPAC1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCc2c(C(=O)N3CCCCC3C(C)O)cccc21
InChIInChI=1S/C20H26N2O3/c1-3-19(24)21-13-7-9-15-16(8-6-11-18(15)21)20(25)22-12-5-4-10-17(22)14(2)23/h3,6,8,11,14,17,23H,1,4-5,7,9-10,12-13H2,2H3
InChIKeyGGPPKIDDNAYBSS-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.53
Rot. Bonds3

About 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one

1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one (PubChem CID 166420181) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
PubChem CID166420181
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCCc2c(C(=O)N3CCCCC3C(C)O)cccc21
InChIInChI=1S/C20H26N2O3/c1-3-19(24)21-13-7-9-15-16(8-6-11-18(15)21)20(25)22-12-5-4-10-17(22)14(2)23/h3,6,8,11,14,17,23H,1,4-5,7,9-10,12-13H2,2H3
InChIKeyGGPPKIDDNAYBSS-UHFFFAOYSA-N
XLogP2.53
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.53
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

1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166421066
1-[5-[2-[(2,3-difluorophenyl)methyl]pyrrolidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166421016
1-prop-2-enoyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420947
1-[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420189
N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420952
methyl 1-prop-2-enoyl-2,3-dihydroindole-4-carboxylate
CID 89003521
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
1-(cyclopentanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382581
1-(cyclohexanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 45382534
[2-(1-aminoethyl)piperidin-1-yl]-(2-iodophenyl)methanone
CID 55168583
[2-(1-aminoethyl)piperidin-1-yl]-(2,3-difluorophenyl)methanone;hydrochloride
CID 119437459

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one (CID 166420181) is 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCc2c(C(=O)N3CCCCC3C(C)O)cccc21.
What is the InChIKey of 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
The InChIKey is GGPPKIDDNAYBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-19(24)21-13-7-9-15-16(8-6-11-18(15)21)20(25)22-12-5-4-10-17(22)14(2)23/h3,6,8,11,14,17,23H,1,4-5,7,9-10,12-13H2,2H3.
What are the key properties of 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one?
1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one has a molecular weight of 342.44 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 166420181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).