3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C19H31ClN2O3 — CID 119463531

IUPAC3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2CCCNC2)ccc1OCCC(C)C.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-14(2)8-10-24-17-7-6-16(11-18(17)23-3)19(22)21-13-15-5-4-9-20-12-15;/h6-7,11,14-15,20H,4-5,8-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyOJHJHLQQCHBNGK-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.27
Rot. Bonds8

About 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119463531) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119463531
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC Name3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC2CCCNC2)ccc1OCCC(C)C.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-14(2)8-10-24-17-7-6-16(11-18(17)23-3)19(22)21-13-15-5-4-9-20-12-15;/h6-7,11,14-15,20H,4-5,8-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyOJHJHLQQCHBNGK-UHFFFAOYSA-N
XLogP3.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
4-methoxy-N-(piperidin-3-ylmethyl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119461144
3-methoxy-N-(piperidin-3-ylmethyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide;dihydrochloride
CID 119464467
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-methoxy-N-(piperidin-3-ylmethyl)-3-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 119462339
3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]-N-(2-piperidin-3-ylethyl)benzamide
CID 119558647
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3-chloro-4-methoxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271818
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
3-methoxy-N-methyl-4-(3-methylbutoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443779
3-bromo-5-methoxy-N-(piperidin-3-ylmethyl)-4-propoxybenzamide
CID 119461766

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119463531) is 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is COc1cc(C(=O)NCC2CCCNC2)ccc1OCCC(C)C.Cl.
What is the InChIKey of 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is OJHJHLQQCHBNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-14(2)8-10-24-17-7-6-16(11-18(17)23-3)19(22)21-13-15-5-4-9-20-12-15;/h6-7,11,14-15,20H,4-5,8-10,12-13H2,1-3H3,(H,21,22);1H.
What are the key properties of 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119463531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).