2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride

C17H26ClN3O2 — CID 119771549

IUPAC2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1C(N)=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11-3-4-14(10-15(11)17(18)22)20-16(21)9-12(2)13-5-7-19-8-6-13;/h3-4,10,12-13,19H,5-9H2,1-2H3,(H2,18,22)(H,20,21);1H
InChIKeyDXAACCFSUHVHOF-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.48
Rot. Bonds5

About 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride

2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride (PubChem CID 119771549) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
PubChem CID119771549
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride
SMILESCc1ccc(NC(=O)CC(C)C2CCNCC2)cc1C(N)=O.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-11-3-4-14(10-15(11)17(18)22)20-16(21)9-12(2)13-5-7-19-8-6-13;/h3-4,10,12-13,19H,5-9H2,1-2H3,(H2,18,22)(H,20,21);1H
InChIKeyDXAACCFSUHVHOF-UHFFFAOYSA-N
XLogP2.48
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119775199
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
N-(4-methyl-3-sulfamoylphenyl)-3-piperidin-4-ylbutanamide
CID 119689561
methyl 2-methyl-4-(3-piperidin-4-ylbutanoylamino)benzoate;hydrochloride
CID 119775418
2-methyl-4-(3-piperidin-4-ylbutanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119780279
N-(4-methyl-3-nitrophenyl)-3-piperidin-4-ylbutanamide
CID 119670842
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725781
N-(3-methyl-4-propan-2-yloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119802609
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
2,2-dimethyl-N-[4-methyl-3-(3-piperidin-4-ylbutanoylamino)phenyl]propanamide
CID 119780736
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
The IUPAC name of 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride (CID 119771549) is 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
The canonical SMILES for 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride is Cc1ccc(NC(=O)CC(C)C2CCNCC2)cc1C(N)=O.Cl.
What is the InChIKey of 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
The InChIKey is DXAACCFSUHVHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-11-3-4-14(10-15(11)17(18)22)20-16(21)9-12(2)13-5-7-19-8-6-13;/h3-4,10,12-13,19H,5-9H2,1-2H3,(H2,18,22)(H,20,21);1H.
What are the key properties of 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride?
2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-piperidin-4-ylbutanoylamino)benzamide;hydrochloride is sourced from PubChem (CID 119771549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).