N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

C20H21ClN2O3 — CID 1254488

IUPACN-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21ClN2O3/c21-15-5-4-6-16(19(15)23-9-2-1-3-10-23)22-20(24)14-7-8-17-18(13-14)26-12-11-25-17/h4-8,13H,1-3,9-12H2,(H,22,24)
InChIKeyMZCXNHYPIVCMPV-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.35
Rot. Bonds3

About N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide

N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (PubChem CID 1254488) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
PubChem CID1254488
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC NameN-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C20H21ClN2O3/c21-15-5-4-6-16(19(15)23-9-2-1-3-10-23)22-20(24)14-7-8-17-18(13-14)26-12-11-25-17/h4-8,13H,1-3,9-12H2,(H,22,24)
InChIKeyMZCXNHYPIVCMPV-UHFFFAOYSA-N
XLogP4.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996637
N-(3-chloro-2-piperidin-1-ylphenyl)benzamide
CID 952564
N-[3-chloro-2-(4-prop-2-enylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 117074939
N-(3-chloro-2-piperidin-1-ylphenyl)-4-methylbenzamide
CID 952476
3,4-dichloro-N-(3-chloro-2-morpholin-4-ylphenyl)benzamide
CID 3478748
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-fluorobenzamide
CID 1252929
N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 7582189
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-3-nitro-4-piperidin-1-ylbenzamide
CID 5126115
N-(3-chloro-2-piperidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 2972706
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 2996589
2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)benzoic acid
CID 6490722
3,4-dichloro-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]benzamide
CID 4030604

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The IUPAC name of N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide (CID 1254488) is N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The canonical SMILES for N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
The InChIKey is MZCXNHYPIVCMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c21-15-5-4-6-16(19(15)23-9-2-1-3-10-23)22-20(24)14-7-8-17-18(13-14)26-12-11-25-17/h4-8,13H,1-3,9-12H2,(H,22,24).
What are the key properties of N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide?
N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-piperidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide is sourced from PubChem (CID 1254488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).