3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride

C12H19Cl2N3O2 — CID 119424729

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCc1noc(Cl)c1CCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C12H18ClN3O2.ClH/c1-8-10(12(13)18-16-8)4-5-11(17)15-9-3-2-6-14-7-9;/h9,14H,2-7H2,1H3,(H,15,17);1H
InChIKeyWGNKEHKPKRPNFH-UHFFFAOYSA-N
MW308.21 g/mol
LogP1.86
Rot. Bonds4

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride (PubChem CID 119424729) has the molecular formula C12H19Cl2N3O2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride
PubChem CID119424729
Molecular FormulaC12H19Cl2N3O2
Molecular Weight308.21 g/mol
Exact Mass307.09
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride
SMILESCc1noc(Cl)c1CCC(=O)NC1CCCNC1.Cl
InChIInChI=1S/C12H18ClN3O2.ClH/c1-8-10(12(13)18-16-8)4-5-11(17)15-9-3-2-6-14-7-9;/h9,14H,2-7H2,1H3,(H,15,17);1H
InChIKeyWGNKEHKPKRPNFH-UHFFFAOYSA-N
XLogP1.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
3-(2,4-dimethylphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 91645265
3-(2,4-dichlorophenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428293
N-piperidin-3-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119425634
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)propanamide
CID 136536828
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427167
3-(3,5-dimethoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119425554
3-[3-(3-chloro-4,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427804
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119391073
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxycyclohexyl)propanamide
CID 43389662
N-piperidin-3-ylpropanamide
CID 3520588

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride (CID 119424729) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride is Cc1noc(Cl)c1CCC(=O)NC1CCCNC1.Cl.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride?
The InChIKey is WGNKEHKPKRPNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2.ClH/c1-8-10(12(13)18-16-8)4-5-11(17)15-9-3-2-6-14-7-9;/h9,14H,2-7H2,1H3,(H,15,17);1H.
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride has a molecular weight of 308.21 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-piperidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119424729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).