5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide

C20H25N3O — CID 118569665

IUPAC5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(N)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-15-6-9-17(10-7-15)22-20(24)18-14-16(21)8-11-19(18)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13,21H2,1H3,(H,22,24)
InChIKeyGFBLWAJCYLODCU-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.07
Rot. Bonds4

About 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide

5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide (PubChem CID 118569665) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
PubChem CID118569665
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
SMILESCCc1ccc(NC(=O)c2cc(N)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-15-6-9-17(10-7-15)22-20(24)18-14-16(21)8-11-19(18)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13,21H2,1H3,(H,22,24)
InChIKeyGFBLWAJCYLODCU-UHFFFAOYSA-N
XLogP4.07
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-ethyl-2-piperidin-1-ylbenzamide
CID 100651237
N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
CID 91675436
5-amino-2-(azepan-1-yl)-N-methylbenzamide
CID 100651466
N-[4-(aminomethyl)phenyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide
CID 167442574
N-butan-2-yl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3707100
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
N,N-diethyl-5-[(4-ethylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 1066044
N-benzyl-5-[(4-ethylphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 1054766
5-amino-2-(azepan-1-yl)-N-(2-methoxyethyl)benzamide
CID 100651536
5-amino-N-[4-(azepan-1-ylmethyl)phenyl]-2-methylbenzamide;dihydrochloride
CID 120645609
5-[(4-ethylbenzoyl)amino]-N-(2-methoxyethyl)-2-pyrrolidin-1-ylbenzamide
CID 5135806
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide?
The IUPAC name of 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide (CID 118569665) is 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide.
What is the SMILES notation for 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide?
The canonical SMILES for 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide is CCc1ccc(NC(=O)c2cc(N)ccc2N2CCCCC2)cc1.
What is the InChIKey of 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide?
The InChIKey is GFBLWAJCYLODCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-15-6-9-17(10-7-15)22-20(24)18-14-16(21)8-11-19(18)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13,21H2,1H3,(H,22,24).
What are the key properties of 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide?
5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 118569665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).