3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride

C20H24ClN3O2 — CID 119770082

IUPAC3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3cccc(N)c3)CC2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-5-7-15(8-6-14)20(25)23-11-9-18(10-12-23)22-19(24)16-3-2-4-17(21)13-16;/h2-8,13,18H,9-12,21H2,1H3,(H,22,24);1H
InChIKeyVZLRNUUKXMFNCX-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.03
Rot. Bonds3

About 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride

3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119770082) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119770082
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3cccc(N)c3)CC2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-14-5-7-15(8-6-14)20(25)23-11-9-18(10-12-23)22-19(24)16-3-2-4-17(21)13-16;/h2-8,13,18H,9-12,21H2,1H3,(H,22,24);1H
InChIKeyVZLRNUUKXMFNCX-UHFFFAOYSA-N
XLogP3.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.03
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-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
3-amino-N-(1-tert-butylpiperidin-4-yl)benzamide
CID 60944646
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
3-amino-N-(1-cyclopentylpiperidin-4-yl)benzamide
CID 119846678
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride (CID 119770082) is 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride is Cc1ccc(C(=O)N2CCC(NC(=O)c3cccc(N)c3)CC2)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is VZLRNUUKXMFNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-14-5-7-15(8-6-14)20(25)23-11-9-18(10-12-23)22-19(24)16-3-2-4-17(21)13-16;/h2-8,13,18H,9-12,21H2,1H3,(H,22,24);1H.
What are the key properties of 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride?
3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119770082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).