[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

C20H25ClN2O4 — CID 51321700

IUPAC[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(C(=O)C2COc3ccc(Cl)cc3C2)C1)N1CCOCC1
InChIInChI=1S/C20H25ClN2O4/c21-17-3-4-18-15(11-17)10-16(13-27-18)20(25)23-5-1-2-14(12-23)19(24)22-6-8-26-9-7-22/h3-4,11,14,16H,1-2,5-10,12-13H2
InChIKeyCJBAVIUHYMHVFZ-UHFFFAOYSA-N
MW392.88 g/mol
LogP1.99
Rot. Bonds2

About [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone

[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 51321700) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID51321700
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCCN(C(=O)C2COc3ccc(Cl)cc3C2)C1)N1CCOCC1
InChIInChI=1S/C20H25ClN2O4/c21-17-3-4-18-15(11-17)10-16(13-27-18)20(25)23-5-1-2-14(12-23)19(24)22-6-8-26-9-7-22/h3-4,11,14,16H,1-2,5-10,12-13H2
InChIKeyCJBAVIUHYMHVFZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone (CID 51321700) is [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CCCN(C(=O)C2COc3ccc(Cl)cc3C2)C1)N1CCOCC1.
What is the InChIKey of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is CJBAVIUHYMHVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4/c21-17-3-4-18-15(11-17)10-16(13-27-18)20(25)23-5-1-2-14(12-23)19(24)22-6-8-26-9-7-22/h3-4,11,14,16H,1-2,5-10,12-13H2.
What are the key properties of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone?
[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 392.88 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 51321700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).