2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one

C16H18N2O3 — CID 79990732

IUPAC2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
SMILESCC1CC(N)CN(C(=O)c2cc(=O)c3ccccc3o2)C1
InChIInChI=1S/C16H18N2O3/c1-10-6-11(17)9-18(8-10)16(20)15-7-13(19)12-4-2-3-5-14(12)21-15/h2-5,7,10-11H,6,8-9,17H2,1H3
InChIKeyZONGXHJHDDIBBN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.60
Rot. Bonds1

About 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one

2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one (PubChem CID 79990732) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
PubChem CID79990732
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
SMILESCC1CC(N)CN(C(=O)c2cc(=O)c3ccccc3o2)C1
InChIInChI=1S/C16H18N2O3/c1-10-6-11(17)9-18(8-10)16(20)15-7-13(19)12-4-2-3-5-14(12)21-15/h2-5,7,10-11H,6,8-9,17H2,1H3
InChIKeyZONGXHJHDDIBBN-UHFFFAOYSA-N
XLogP1.60
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]chromen-4-one
CID 96512747
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105352
2-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]chromen-4-one
CID 133131947
2-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 166615463
3-[1-(4-oxochromene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159763
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one (CID 79990732) is 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one is CC1CC(N)CN(C(=O)c2cc(=O)c3ccccc3o2)C1.
What is the InChIKey of 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one?
The InChIKey is ZONGXHJHDDIBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-6-11(17)9-18(8-10)16(20)15-7-13(19)12-4-2-3-5-14(12)21-15/h2-5,7,10-11H,6,8-9,17H2,1H3.
What are the key properties of 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one?
2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one has a molecular weight of 286.33 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 79990732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).