N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide

C22H28ClN3O4 — CID 45243370

IUPACN-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1Cl
InChIInChI=1S/C22H28ClN3O4/c1-14(2)18-12-20(30-25-18)22(28)26-10-4-5-15(13-26)6-9-21(27)24-16-7-8-19(29-3)17(23)11-16/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,24,27)
InChIKeyXREHOWRBGQVBJU-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.73
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide (PubChem CID 45243370) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide
PubChem CID45243370
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1ccc(NC(=O)CCC2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1Cl
InChIInChI=1S/C22H28ClN3O4/c1-14(2)18-12-20(30-25-18)22(28)26-10-4-5-15(13-26)6-9-21(27)24-16-7-8-19(29-3)17(23)11-16/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,24,27)
InChIKeyXREHOWRBGQVBJU-UHFFFAOYSA-N
XLogP4.73
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45192904
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-(6-methyl-2,3-dihydro-1,4-dioxine-5-carbonyl)piperidin-3-yl]propanamide
CID 26322215
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-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]propanamide
CID 45251739
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-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]propanamide
CID 42533041
N-(3-chloro-4-methoxyphenyl)-3-[(3R)-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanamide
CID 25284111
N-(3-chloro-4-methoxyphenyl)-3-[1-[3-(1,2,4-triazol-1-yl)propanoyl]piperidin-3-yl]propanamide
CID 45235853
methyl 4-[[(3R)-3-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]piperidin-1-yl]methyl]benzoate
CID 26323020
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide;hydrochloride
CID 120728314
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-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide (CID 45243370) is N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide is COc1ccc(NC(=O)CCC2CCCN(C(=O)c3cc(C(C)C)no3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is XREHOWRBGQVBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O4/c1-14(2)18-12-20(30-25-18)22(28)26-10-4-5-15(13-26)6-9-21(27)24-16-7-8-19(29-3)17(23)11-16/h7-8,11-12,14-15H,4-6,9-10,13H2,1-3H3,(H,24,27).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 433.94 g/mol, XLogP of 4.73, 7 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-[1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 45243370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).