4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C19H30Cl2N2O3 — CID 119461806

IUPAC4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)NCC2CCCNC2)cc1OCC.Cl
InChIInChI=1S/C19H29ClN2O3.ClH/c1-3-5-9-25-18-16(20)10-15(11-17(18)24-4-2)19(23)22-13-14-7-6-8-21-12-14;/h10-11,14,21H,3-9,12-13H2,1-2H3,(H,22,23);1H
InChIKeyPFOJHHJNMBAAJP-UHFFFAOYSA-N
MW405.37 g/mol
LogP4.07
Rot. Bonds9

About 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119461806) has the molecular formula C19H30Cl2N2O3 and a molecular weight of 405.37 g/mol. Its IUPAC name is 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119461806
Molecular FormulaC19H30Cl2N2O3
Molecular Weight405.37 g/mol
Exact Mass404.16
IUPAC Name4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCCCCOc1c(Cl)cc(C(=O)NCC2CCCNC2)cc1OCC.Cl
InChIInChI=1S/C19H29ClN2O3.ClH/c1-3-5-9-25-18-16(20)10-15(11-17(18)24-4-2)19(23)22-13-14-7-6-8-21-12-14;/h10-11,14,21H,3-9,12-13H2,1-2H3,(H,22,23);1H
InChIKeyPFOJHHJNMBAAJP-UHFFFAOYSA-N
XLogP4.07
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-chloro-5-ethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119535369
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513746
3-chloro-5-methoxy-N-(2-piperidin-3-ylethyl)-4-propoxybenzamide
CID 119558430
4-butoxy-3-chloro-5-methoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513747
4-pentoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119463502
3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
CID 119461766
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-butoxy-3-chloro-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 78783545
3-chloro-5-methoxy-N-piperidin-3-yl-4-propoxybenzamide;hydrochloride
CID 119428031
3-chloro-5-methoxy-4-propoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537034
3-chloro-5-ethoxy-N-(2-methylpiperidin-3-yl)-4-propoxybenzamide;hydrochloride
CID 120575515
(4-butoxy-3-chloro-5-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650048

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119461806) is 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is CCCCOc1c(Cl)cc(C(=O)NCC2CCCNC2)cc1OCC.Cl.
What is the InChIKey of 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is PFOJHHJNMBAAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29ClN2O3.ClH/c1-3-5-9-25-18-16(20)10-15(11-17(18)24-4-2)19(23)22-13-14-7-6-8-21-12-14;/h10-11,14,21H,3-9,12-13H2,1-2H3,(H,22,23);1H.
What are the key properties of 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 405.37 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-3-chloro-5-ethoxy-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119461806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).