2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide

C19H22ClN3O — CID 113239287

IUPAC2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
SMILESNc1cccc(Cl)c1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22ClN3O/c20-16-9-4-10-17(21)18(16)19(24)22-15-8-5-11-23(13-15)12-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13,21H2,(H,22,24)
InChIKeyJMZMSEZUHNEEBC-UHFFFAOYSA-N
MW343.86 g/mol
LogP3.32
Rot. Bonds4

About 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide

2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide (PubChem CID 113239287) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
PubChem CID113239287
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide
SMILESNc1cccc(Cl)c1C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H22ClN3O/c20-16-9-4-10-17(21)18(16)19(24)22-15-8-5-11-23(13-15)12-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13,21H2,(H,22,24)
InChIKeyJMZMSEZUHNEEBC-UHFFFAOYSA-N
XLogP3.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.32
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

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N-[(3S)-1-benzylpiperidin-3-yl]acetamide
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N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
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CID 55850513
(2S)-2-amino-N-(1-benzylpiperidin-3-yl)butanamide
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1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
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3-amino-N-(1-benzylpiperidin-3-yl)cyclopentane-1-carboxamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide?
The IUPAC name of 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide (CID 113239287) is 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide.
What is the SMILES notation for 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide?
The canonical SMILES for 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide is Nc1cccc(Cl)c1C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide?
The InChIKey is JMZMSEZUHNEEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-16-9-4-10-17(21)18(16)19(24)22-15-8-5-11-23(13-15)12-14-6-2-1-3-7-14/h1-4,6-7,9-10,15H,5,8,11-13,21H2,(H,22,24).
What are the key properties of 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide?
2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide has a molecular weight of 343.86 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzylpiperidin-3-yl)-6-chlorobenzamide is sourced from PubChem (CID 113239287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).