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

C20H25ClN2O3 — CID 51286870

IUPAC[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)C2COc3ccc(Cl)cc3C2)CC1)N1CCCC1
InChIInChI=1S/C20H25ClN2O3/c21-17-3-4-18-15(12-17)11-16(13-26-18)20(25)23-9-5-14(6-10-23)19(24)22-7-1-2-8-22/h3-4,12,14,16H,1-2,5-11,13H2
InChIKeyGTTYYDWDBIXULC-UHFFFAOYSA-N
MW376.88 g/mol
LogP2.75
Rot. Bonds2

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

[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51286870) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID51286870
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C(=O)C2COc3ccc(Cl)cc3C2)CC1)N1CCCC1
InChIInChI=1S/C20H25ClN2O3/c21-17-3-4-18-15(12-17)11-16(13-26-18)20(25)23-9-5-14(6-10-23)19(24)22-7-1-2-8-22/h3-4,12,14,16H,1-2,5-11,13H2
InChIKeyGTTYYDWDBIXULC-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 51286870) is [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(C(=O)C2COc3ccc(Cl)cc3C2)CC1)N1CCCC1.
What is the InChIKey of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GTTYYDWDBIXULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c21-17-3-4-18-15(12-17)11-16(13-26-18)20(25)23-9-5-14(6-10-23)19(24)22-7-1-2-8-22/h3-4,12,14,16H,1-2,5-11,13H2.
What are the key properties of [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 376.88 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51286870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).