1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride

C19H24ClN3O — CID 126789910

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride
SMILESCNCC1CCCN(C(=O)C=Cc2ccc3ccccc3n2)C1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-20-13-15-5-4-12-22(14-15)19(23)11-10-17-9-8-16-6-2-3-7-18(16)21-17;/h2-3,6-11,15,20H,4-5,12-14H2,1H3;1H
InChIKeyNFQBUCKROBSWBG-UHFFFAOYSA-N
MW345.87 g/mol
LogP3.13
Rot. Bonds4

About 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride

1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride (PubChem CID 126789910) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride
PubChem CID126789910
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride
SMILESCNCC1CCCN(C(=O)C=Cc2ccc3ccccc3n2)C1.Cl
InChIInChI=1S/C19H23N3O.ClH/c1-20-13-15-5-4-12-22(14-15)19(23)11-10-17-9-8-16-6-2-3-7-18(16)21-17;/h2-3,6-11,15,20H,4-5,12-14H2,1H3;1H
InChIKeyNFQBUCKROBSWBG-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.13
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

3-(7-chloroquinolin-2-yl)-1-[3-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 126783309
3-(7-chloroquinolin-2-yl)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 126790537
1-[3-(methylaminomethyl)piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 61205655
3-(2,3-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]prop-2-en-1-one
CID 126793281
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
(E)-N-hydroxy-3-[6-[(E)-3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide;hydrochloride
CID 44553479
3-(4-fluorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one;hydrochloride
CID 126778619
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 124594515
N-hydroxy-3-[6-[3-(3-naphthalen-1-ylpiperidin-1-yl)-3-oxoprop-1-enyl]-2-pyridinyl]prop-2-enamide
CID 75067607
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 9158346
1-[2-(aminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 126782984
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride (CID 126789910) is 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride is CNCC1CCCN(C(=O)C=Cc2ccc3ccccc3n2)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride?
The InChIKey is NFQBUCKROBSWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-20-13-15-5-4-12-22(14-15)19(23)11-10-17-9-8-16-6-2-3-7-18(16)21-17;/h2-3,6-11,15,20H,4-5,12-14H2,1H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride?
1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride is sourced from PubChem (CID 126789910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).