4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C17H27ClN2O2 — CID 119443676

IUPAC4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCC(C)Oc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-4-13(2)21-16-7-5-14(6-8-16)17(20)19(3)15-9-11-18-12-10-15;/h5-8,13,15,18H,4,9-12H2,1-3H3;1H
InChIKeyJAFSGANIGLVLKF-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.11
Rot. Bonds5

About 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119443676) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119443676
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCC(C)Oc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-4-13(2)21-16-7-5-14(6-8-16)17(20)19(3)15-9-11-18-12-10-15;/h5-8,13,15,18H,4,9-12H2,1-3H3;1H
InChIKeyJAFSGANIGLVLKF-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441295
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
N-methyl-2-(4-methylphenoxy)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442967
4-(3,4-difluorophenoxy)-N-methyl-N-piperidin-4-ylbenzamide
CID 119442811
4-(cyclopropylmethoxy)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119551835
3-methoxy-N-methyl-N-piperidin-4-yl-4-propan-2-yloxybenzamide
CID 119443778
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442633
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
N-methyl-N-piperidin-4-yl-3,4-dipropoxybenzamide
CID 119443973

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119443676) is 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CCC(C)Oc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is JAFSGANIGLVLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-4-13(2)21-16-7-5-14(6-8-16)17(20)19(3)15-9-11-18-12-10-15;/h5-8,13,15,18H,4,9-12H2,1-3H3;1H.
What are the key properties of 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119443676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).