N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide

C17H22Cl2N2O3 — CID 56526817

IUPACN-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(C2OCCO2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H22Cl2N2O3/c18-13-2-1-3-14(19)16(13)20-15(22)6-9-21-7-4-12(5-8-21)17-23-10-11-24-17/h1-3,12,17H,4-11H2,(H,20,22)
InChIKeyXGHKLPQGBUKAIF-UHFFFAOYSA-N
MW373.28 g/mol
LogP3.41
Rot. Bonds5

About N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide

N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide (PubChem CID 56526817) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
PubChem CID56526817
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC NameN-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide
SMILESO=C(CCN1CCC(C2OCCO2)CC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H22Cl2N2O3/c18-13-2-1-3-14(19)16(13)20-15(22)6-9-21-7-4-12(5-8-21)17-23-10-11-24-17/h1-3,12,17H,4-11H2,(H,20,22)
InChIKeyXGHKLPQGBUKAIF-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-N-(2,6-dichlorophenyl)propanamide
CID 96549635
3-(3-aminoazetidin-1-yl)-N-(2,6-dichlorophenyl)propanamide
CID 65249558
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
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N-(2,6-dichlorophenyl)-3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24589344
3-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24596426
N-(2,6-dichlorophenyl)-3-(4-pentylsulfonylpiperazin-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide (CID 56526817) is N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide is O=C(CCN1CCC(C2OCCO2)CC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
The InChIKey is XGHKLPQGBUKAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c18-13-2-1-3-14(19)16(13)20-15(22)6-9-21-7-4-12(5-8-21)17-23-10-11-24-17/h1-3,12,17H,4-11H2,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide?
N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide has a molecular weight of 373.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 56526817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).