2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide

C24H26ClN3O5 — CID 55989119

IUPAC2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClN3O5/c1-15(28-10-8-17(9-11-28)22(29)16-2-4-18(25)5-3-16)23(30)27-24(31)26-19-6-7-20-21(14-19)33-13-12-32-20/h2-7,14-15,17H,8-13H2,1H3,(H2,26,27,30,31)
InChIKeyVTYOZJYHIKPVQO-UHFFFAOYSA-N
MW471.94 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide

2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide (PubChem CID 55989119) has the molecular formula C24H26ClN3O5 and a molecular weight of 471.94 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
PubChem CID55989119
Molecular FormulaC24H26ClN3O5
Molecular Weight471.94 g/mol
Exact Mass471.16
IUPAC Name2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
SMILESCC(C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H26ClN3O5/c1-15(28-10-8-17(9-11-28)22(29)16-2-4-18(25)5-3-16)23(30)27-24(31)26-19-6-7-20-21(14-19)33-13-12-32-20/h2-7,14-15,17H,8-13H2,1H3,(H2,26,27,30,31)
InChIKeyVTYOZJYHIKPVQO-UHFFFAOYSA-N
XLogP3.74
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.94
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(4-benzoylpiperidin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 26038452
2-(azepan-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 51167641
(2S)-2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide
CID 25323299
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 43054461
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 26299527
4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25482263
1-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907684
1-[1-(4-chlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CID 17182454
2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 55591308
2-(4-chloropyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 19538420
ethyl (2S)-2-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]propanoate
CID 95187154
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propanamide
CID 60607932

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide (CID 55989119) is 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide is CC(C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide?
The InChIKey is VTYOZJYHIKPVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O5/c1-15(28-10-8-17(9-11-28)22(29)16-2-4-18(25)5-3-16)23(30)27-24(31)26-19-6-7-20-21(14-19)33-13-12-32-20/h2-7,14-15,17H,8-13H2,1H3,(H2,26,27,30,31).
What are the key properties of 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide?
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide has a molecular weight of 471.94 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)propanamide is sourced from PubChem (CID 55989119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).