6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one

C16H16ClNO3 — CID 29201274

IUPAC6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
SMILESC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)C1
InChIInChI=1S/C16H16ClNO3/c1-10-3-2-6-18(9-10)16(20)15-8-13(19)12-7-11(17)4-5-14(12)21-15/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m1/s1
InChIKeyHYBFXGUJAMCOSC-SNVBAGLBSA-N
MW305.76 g/mol
LogP3.32
Rot. Bonds1

About 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one

6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one (PubChem CID 29201274) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
PubChem CID29201274
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one
SMILESC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)C1
InChIInChI=1S/C16H16ClNO3/c1-10-3-2-6-18(9-10)16(20)15-8-13(19)12-7-11(17)4-5-14(12)21-15/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m1/s1
InChIKeyHYBFXGUJAMCOSC-SNVBAGLBSA-N
XLogP3.32
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-chloro-4-oxochromene-2-carbonyl)-4-(sulfamoylamino)piperidine
CID 166246994
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 6-chloro-4-oxochromene-2-carboxylate
CID 8877271
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(5-chloro-3-methyl-1-benzofuran-2-yl)methanone
CID 124689111
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
6-chloro-2-[4-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]chromen-4-one
CID 90495108
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
[2-(azocan-1-yl)-2-oxoethyl] 6-chloro-4-oxochromene-2-carboxylate
CID 8541005
6-chloro-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]chromen-4-one
CID 9226731
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
6-methyl-2-[3-(5-methylsulfonylthiadiazol-4-yl)piperidine-1-carbonyl]chromen-4-one
CID 110237178

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one (CID 29201274) is 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one is C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)C1.
What is the InChIKey of 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one?
The InChIKey is HYBFXGUJAMCOSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-3-2-6-18(9-10)16(20)15-8-13(19)12-7-11(17)4-5-14(12)21-15/h4-5,7-8,10H,2-3,6,9H2,1H3/t10-/m1/s1.
What are the key properties of 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one?
6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one has a molecular weight of 305.76 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3R)-3-methylpiperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 29201274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).