5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride

C18H28ClN3O2 — CID 120626448

IUPAC5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCN(C(=O)CC(C)C)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)10-17(22)21-8-6-15(7-9-21)20-18(23)16-11-14(19)5-4-13(16)3;/h4-5,11-12,15H,6-10,19H2,1-3H3,(H,20,23);1H
InChIKeyBSZDSZSPBRWRNH-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.77
Rot. Bonds4

About 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride

5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 120626448) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID120626448
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC1CCN(C(=O)CC(C)C)CC1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-12(2)10-17(22)21-8-6-15(7-9-21)20-18(23)16-11-14(19)5-4-13(16)3;/h4-5,11-12,15H,6-10,19H2,1-3H3,(H,20,23);1H
InChIKeyBSZDSZSPBRWRNH-UHFFFAOYSA-N
XLogP2.77
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 51093731
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742
3-[(5-amino-2-methylbenzoyl)amino]-N-ethylpyrrolidine-1-carboxamide;hydrochloride
CID 120638870
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
5-amino-N-(4-ethylcyclohexyl)-2-methylbenzamide
CID 61466325
5-amino-N-(1-cyclopentylpiperidin-4-yl)-2-methylbenzamide
CID 120641743
N-[1-(3-amino-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119949813
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
N-[1-(3-methylbutanoyl)piperidin-4-yl]furan-3-carboxamide
CID 47073768
5-amino-N-(4-carbamoylcyclohexyl)-2-methylbenzamide
CID 61291951
2,6-dimethoxy-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819616
(5-amino-2-methylphenyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120632288

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride (CID 120626448) is 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC1CCN(C(=O)CC(C)C)CC1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is BSZDSZSPBRWRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-12(2)10-17(22)21-8-6-15(7-9-21)20-18(23)16-11-14(19)5-4-13(16)3;/h4-5,11-12,15H,6-10,19H2,1-3H3,(H,20,23);1H.
What are the key properties of 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride?
5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 120626448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).