4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

C17H25ClN2O2 — CID 120574690

IUPAC4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-16(3-2-10-18-12)19-17(20)14-6-8-15(9-7-14)21-11-13-4-5-13;/h6-9,12-13,16,18H,2-5,10-11H2,1H3,(H,19,20);1H
InChIKeyROXAFDKHYSLLNI-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.77
Rot. Bonds5

About 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride

4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (PubChem CID 120574690) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
PubChem CID120574690
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
SMILESCC1NCCCC1NC(=O)c1ccc(OCC2CC2)cc1.Cl
InChIInChI=1S/C17H24N2O2.ClH/c1-12-16(3-2-10-18-12)19-17(20)14-6-8-15(9-7-14)21-11-13-4-5-13;/h6-9,12-13,16,18H,2-5,10-11H2,1H3,(H,19,20);1H
InChIKeyROXAFDKHYSLLNI-UHFFFAOYSA-N
XLogP2.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-[2-(aminomethyl)cyclopentyl]-4-(cyclopropylmethoxy)benzamide;hydrochloride
CID 119602452
1-N-(2,2-dimethylpropyl)-4-N-(2-methylpiperidin-3-yl)benzene-1,4-dicarboxamide;hydrochloride
CID 120575205
4-ethylsulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120574136
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
N-(2-methylpiperidin-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 120577264
N-(2-methylpiperidin-3-yl)-4-(propylsulfonylamino)benzamide;hydrochloride
CID 120577071
4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120577814
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride (CID 120574690) is 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is CC1NCCCC1NC(=O)c1ccc(OCC2CC2)cc1.Cl.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
The InChIKey is ROXAFDKHYSLLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2.ClH/c1-12-16(3-2-10-18-12)19-17(20)14-6-8-15(9-7-14)21-11-13-4-5-13;/h6-9,12-13,16,18H,2-5,10-11H2,1H3,(H,19,20);1H.
What are the key properties of 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride?
4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride has a molecular weight of 324.85 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 120574690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).