3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one

C20H17ClN2O4 — CID 122243483

IUPAC3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C20H17ClN2O4/c21-16-11-22-8-7-18(16)26-14-5-3-9-23(12-14)19(24)15-10-13-4-1-2-6-17(13)27-20(15)25/h1-2,4,6-8,10-11,14H,3,5,9,12H2
InChIKeyMDYGUHPZVJRPPF-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.53
Rot. Bonds3

About 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one

3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one (PubChem CID 122243483) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one.

Molecular Properties

Compound Name3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
PubChem CID122243483
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one
SMILESO=C(c1cc2ccccc2oc1=O)N1CCCC(Oc2ccncc2Cl)C1
InChIInChI=1S/C20H17ClN2O4/c21-16-11-22-8-7-18(16)26-14-5-3-9-23(12-14)19(24)15-10-13-4-1-2-6-17(13)27-20(15)25/h1-2,4,6-8,10-11,14H,3,5,9,12H2
InChIKeyMDYGUHPZVJRPPF-UHFFFAOYSA-N
XLogP3.53
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 122243487
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
(2-chloro-4-fluorophenyl)-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]methanone
CID 122256291
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 122256144
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-iodophenyl)methanone
CID 122256358
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(3-nitrophenyl)methanone
CID 122256214
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 122243488
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-3-phenylpropan-1-one
CID 122256256
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 122256222

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one?
The IUPAC name of 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one (CID 122243483) is 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one.
What is the SMILES notation for 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one?
The canonical SMILES for 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one is O=C(c1cc2ccccc2oc1=O)N1CCCC(Oc2ccncc2Cl)C1.
What is the InChIKey of 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one?
The InChIKey is MDYGUHPZVJRPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c21-16-11-22-8-7-18(16)26-14-5-3-9-23(12-14)19(24)15-10-13-4-1-2-6-17(13)27-20(15)25/h1-2,4,6-8,10-11,14H,3,5,9,12H2.
What are the key properties of 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one?
3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one has a molecular weight of 384.82 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]chromen-2-one is sourced from PubChem (CID 122243483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).