3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one

C17H21N3O4 — CID 138001661

IUPAC3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(C(=O)N3CCC(O)(CN)CC3)c[nH]c2c1
InChIInChI=1S/C17H21N3O4/c1-24-11-2-3-12-14(8-11)19-9-13(15(12)21)16(22)20-6-4-17(23,10-18)5-7-20/h2-3,8-9,23H,4-7,10,18H2,1H3,(H,19,21)
InChIKeyMAGKAQHMVUBYQA-UHFFFAOYSA-N
MW331.37 g/mol
LogP0.46
Rot. Bonds3

About 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one

3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one (PubChem CID 138001661) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one
PubChem CID138001661
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one
SMILESCOc1ccc2c(=O)c(C(=O)N3CCC(O)(CN)CC3)c[nH]c2c1
InChIInChI=1S/C17H21N3O4/c1-24-11-2-3-12-14(8-11)19-9-13(15(12)21)16(22)20-6-4-17(23,10-18)5-7-20/h2-3,8-9,23H,4-7,10,18H2,1H3,(H,19,21)
InChIKeyMAGKAQHMVUBYQA-UHFFFAOYSA-N
XLogP0.46
TPSA108.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[5-(4-methoxy-2-methylphenyl)-3-pyridinyl]methanone
CID 138057111
7-chloro-3-[4-[(dimethylamino)methyl]-4-methoxypiperidine-1-carbonyl]-1H-quinolin-4-one;formic acid
CID 171317052
1-azabicyclo[2.2.1]heptan-4-ylmethyl 6-methoxy-1H-indole-3-carboxylate
CID 25234507
6-methoxy-3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-quinolin-4-one
CID 135107741
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 56740155
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 166239498
(6-methoxy-1H-indol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 113206568
(2-amino-4-methoxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 115413606
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-methoxy-1H-quinolin-4-one
CID 91638334
7-chloro-3-[(3S,4S)-3,4-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-1H-quinolin-4-one
CID 163312786
(5-methoxy-1H-indol-3-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113206035

Frequently Asked Questions

What is the IUPAC name of 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one?
The IUPAC name of 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one (CID 138001661) is 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one.
What is the SMILES notation for 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one?
The canonical SMILES for 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one is COc1ccc2c(=O)c(C(=O)N3CCC(O)(CN)CC3)c[nH]c2c1.
What is the InChIKey of 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one?
The InChIKey is MAGKAQHMVUBYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-11-2-3-12-14(8-11)19-9-13(15(12)21)16(22)20-6-4-17(23,10-18)5-7-20/h2-3,8-9,23H,4-7,10,18H2,1H3,(H,19,21).
What are the key properties of 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one?
3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one has a molecular weight of 331.37 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(aminomethyl)-4-hydroxypiperidine-1-carbonyl]-7-methoxy-1H-quinolin-4-one is sourced from PubChem (CID 138001661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).