4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C18H29ClN2O2 — CID 120553316

IUPAC4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC(C)CCOc1ccc(C(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(2)9-11-22-16-6-4-15(5-7-16)18(21)20-17-8-10-19-12-14(17)3;/h4-7,13-14,17,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyGJQPQWCVPIYILP-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.26
Rot. Bonds6

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

4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120553316) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120553316
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC Name4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC(C)CCOc1ccc(C(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(2)9-11-22-16-6-4-15(5-7-16)18(21)20-17-8-10-19-12-14(17)3;/h4-7,13-14,17,19H,8-12H2,1-3H3,(H,20,21);1H
InChIKeyGJQPQWCVPIYILP-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-(3-methylbutoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536052
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120553316) is 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is CC(C)CCOc1ccc(C(=O)NC2CCNCC2C)cc1.Cl.
What is the InChIKey of 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is GJQPQWCVPIYILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-13(2)9-11-22-16-6-4-15(5-7-16)18(21)20-17-8-10-19-12-14(17)3;/h4-7,13-14,17,19H,8-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120553316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).