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

C23H27ClN2O3 — CID 42209722

IUPACN-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C23H27ClN2O3/c24-19-3-1-2-4-20(19)25-23(27)8-6-17-9-11-26(12-10-17)16-18-5-7-21-22(15-18)29-14-13-28-21/h1-5,7,15,17H,6,8-14,16H2,(H,25,27)
InChIKeyTWAJLCFGYQDYQH-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.74
Rot. Bonds6

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

N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide (PubChem CID 42209722) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
PubChem CID42209722
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC NameN-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C23H27ClN2O3/c24-19-3-1-2-4-20(19)25-23(27)8-6-17-9-11-26(12-10-17)16-18-5-7-21-22(15-18)29-14-13-28-21/h1-5,7,15,17H,6,8-14,16H2,(H,25,27)
InChIKeyTWAJLCFGYQDYQH-UHFFFAOYSA-N
XLogP4.74
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 42516837
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CID 110858773
N-benzhydryl-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetamide
CID 10344048
2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]acetic acid
CID 79609676
N-(1-benzylpiperidin-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 9114216
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CID 46681491
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CID 51168557
N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
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N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26410836
N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
CID 56707250
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110863362
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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide (CID 42209722) is N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2ccc3c(c2)OCCO3)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide?
The InChIKey is TWAJLCFGYQDYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c24-19-3-1-2-4-20(19)25-23(27)8-6-17-9-11-26(12-10-17)16-18-5-7-21-22(15-18)29-14-13-28-21/h1-5,7,15,17H,6,8-14,16H2,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide has a molecular weight of 414.93 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42209722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).