3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

C22H34ClN3O3 — CID 119535772

IUPAC3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCCC2CCNC2)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-16-12-19(22(27)24-9-7-18-6-8-23-14-18)13-17(2)21(16)28-15-20(26)25-10-4-3-5-11-25;/h12-13,18,23H,3-11,14-15H2,1-2H3,(H,24,27);1H
InChIKeyASTHFTPXSJTESX-UHFFFAOYSA-N
MW423.99 g/mol
LogP2.85
Rot. Bonds7

About 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride

3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119535772) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119535772
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC Name3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCCC2CCNC2)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-16-12-19(22(27)24-9-7-18-6-8-23-14-18)13-17(2)21(16)28-15-20(26)25-10-4-3-5-11-25;/h12-13,18,23H,3-11,14-15H2,1-2H3,(H,24,27);1H
InChIKeyASTHFTPXSJTESX-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426701
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119401933
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120576930
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 120576931
2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119490646
3-methoxy-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63624894
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride (CID 119535772) is 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is Cc1cc(C(=O)NCCC2CCNC2)cc(C)c1OCC(=O)N1CCCCC1.Cl.
What is the InChIKey of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is ASTHFTPXSJTESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c1-16-12-19(22(27)24-9-7-18-6-8-23-14-18)13-17(2)21(16)28-15-20(26)25-10-4-3-5-11-25;/h12-13,18,23H,3-11,14-15H2,1-2H3,(H,24,27);1H.
What are the key properties of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride?
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119535772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).