N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide

C21H27ClN2O5 — CID 26322215

IUPACN-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1Cl
InChIInChI=1S/C21H27ClN2O5/c1-14-20(29-11-10-28-14)21(26)24-9-3-4-15(13-24)5-8-19(25)23-16-6-7-18(27-2)17(22)12-16/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyLVFYNFAPSYDIRV-OAHLLOKOSA-N
MW422.91 g/mol
LogP3.58
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 26322215) has the molecular formula C21H27ClN2O5 and a molecular weight of 422.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
PubChem CID26322215
Molecular FormulaC21H27ClN2O5
Molecular Weight422.91 g/mol
Exact Mass422.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1Cl
InChIInChI=1S/C21H27ClN2O5/c1-14-20(29-11-10-28-14)21(26)24-9-3-4-15(13-24)5-8-19(25)23-16-6-7-18(27-2)17(22)12-16/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyLVFYNFAPSYDIRV-OAHLLOKOSA-N
XLogP3.58
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283405
3-[(3R)-1-(2-acetylbenzoyl)piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 25283407
N-(3-chloro-4-methoxyphenyl)-3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45192904
N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide
CID 45243370
N-(3-chloro-4-methoxyphenyl)-3-[(3S)-1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-3-yl]propanamide
CID 42155890
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25284111
N-[(2,4-dimethoxyphenyl)methyl]-3-[1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 45204302
N-(3-chloro-4-methoxyphenyl)-3-[1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45251739
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020
N-(3-chloro-4-methoxyphenyl)-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45235853
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide
CID 42533041
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 45200156

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide (CID 26322215) is N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CC[C@H]2CCCN(C(=O)C3=C(C)OCCO3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is LVFYNFAPSYDIRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27ClN2O5/c1-14-20(29-11-10-28-14)21(26)24-9-3-4-15(13-24)5-8-19(25)23-16-6-7-18(27-2)17(22)12-16/h6-7,12,15H,3-5,8-11,13H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 422.91 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 26322215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).