3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide

C18H27ClN2O3 — CID 120598880

IUPAC3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCNC(C)C2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H27ClN2O3/c1-11(2)10-24-17-15(19)8-13(9-16(17)23-4)18(22)21-14-5-6-20-12(3)7-14/h8-9,11-12,14,20H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyXQQIAFZOHBZUPZ-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.25
Rot. Bonds6

About 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide

3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide (PubChem CID 120598880) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
PubChem CID120598880
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide
SMILESCOc1cc(C(=O)NC2CCNC(C)C2)cc(Cl)c1OCC(C)C
InChIInChI=1S/C18H27ClN2O3/c1-11(2)10-24-17-15(19)8-13(9-16(17)23-4)18(22)21-14-5-6-20-12(3)7-14/h8-9,11-12,14,20H,5-7,10H2,1-4H3,(H,21,22)
InChIKeyXQQIAFZOHBZUPZ-UHFFFAOYSA-N
XLogP3.25
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-(2-methylpropoxy)-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450911
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601789
3-chloro-N-(4-hydroxycyclohexyl)-5-methoxy-4-(2-methylpropoxy)benzamide
CID 78767621
3-chloro-N-[(1S,3S)-3-ethylsulfanylcyclopentyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 95782555
3-chloro-5-ethoxy-N-(2-methylpiperidin-4-yl)-4-propoxybenzamide;hydrochloride
CID 120600118
3-chloro-N-[2-(cyclopropanecarbonylamino)ethyl]-5-methoxy-4-(2-methylpropoxy)benzamide
CID 51153085
tert-butyl 4-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]piperidine-1-carboxylate
CID 55987274
N-(2-methylpiperidin-4-yl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120600797
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
3,4,5-triethoxy-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601431
2-[[3-chloro-5-methoxy-4-(2-methylpropoxy)benzoyl]amino]acetate
CID 7994307
3-chloro-N'-(4-fluorobenzoyl)-5-methoxy-4-(2-methylpropoxy)benzohydrazide
CID 55333896

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide (CID 120598880) is 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide is COc1cc(C(=O)NC2CCNC(C)C2)cc(Cl)c1OCC(C)C.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide?
The InChIKey is XQQIAFZOHBZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-11(2)10-24-17-15(19)8-13(9-16(17)23-4)18(22)21-14-5-6-20-12(3)7-14/h8-9,11-12,14,20H,5-7,10H2,1-4H3,(H,21,22).
What are the key properties of 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide?
3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide has a molecular weight of 354.88 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 120598880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).