3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide

C18H27ClN2O3 — CID 119558430

IUPAC3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCCC2CCCNC2)cc1OC
InChIInChI=1S/C18H27ClN2O3/c1-3-9-24-17-15(19)10-14(11-16(17)23-2)18(22)21-8-6-13-5-4-7-20-12-13/h10-11,13,20H,3-9,12H2,1-2H3,(H,21,22)
InChIKeyVPFPGQAUQHLIRU-UHFFFAOYSA-N
MW354.88 g/mol
LogP3.26
Rot. Bonds8

About 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide

3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide (PubChem CID 119558430) has the molecular formula C18H27ClN2O3 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
PubChem CID119558430
Molecular FormulaC18H27ClN2O3
Molecular Weight354.88 g/mol
Exact Mass354.17
IUPAC Name3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCCC2CCCNC2)cc1OC
InChIInChI=1S/C18H27ClN2O3/c1-3-9-24-17-15(19)10-14(11-16(17)23-2)18(22)21-8-6-13-5-4-7-20-12-13/h10-11,13,20H,3-9,12H2,1-2H3,(H,21,22)
InChIKeyVPFPGQAUQHLIRU-UHFFFAOYSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536727
4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535369
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
CID 119461766
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-(methanesulfonamido)-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556011
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461806
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide?
The IUPAC name of 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide (CID 119558430) is 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide?
The canonical SMILES for 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCCC2CCCNC2)cc1OC.
What is the InChIKey of 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide?
The InChIKey is VPFPGQAUQHLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3/c1-3-9-24-17-15(19)10-14(11-16(17)23-2)18(22)21-8-6-13-5-4-7-20-12-13/h10-11,13,20H,3-9,12H2,1-2H3,(H,21,22).
What are the key properties of 3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide?
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide has a molecular weight of 354.88 g/mol, XLogP of 3.26, 8 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-piperidin-3-ylethyl)-4-propoxybenzamide is sourced from PubChem (CID 119558430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).