N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide

C20H25N3O — CID 91675436

IUPACN-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-15-6-8-16(9-7-15)20(24)22-18-14-17(21)10-11-19(18)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13,21H2,1H3,(H,22,24)
InChIKeyQNQGXPQJJMJQCC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.07
Rot. Bonds4

About N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide

N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide (PubChem CID 91675436) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
PubChem CID91675436
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-15-6-8-16(9-7-15)20(24)22-18-14-17(21)10-11-19(18)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13,21H2,1H3,(H,22,24)
InChIKeyQNQGXPQJJMJQCC-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

N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91675435
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
CID 118569665
4-amino-N-(2-piperidin-1-ylphenyl)benzamide
CID 119828017
methyl 3-[[4-(methoxymethyl)benzoyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 51337606
4-fluoro-N-(5-fluoro-2-pyrrolidin-1-ylphenyl)benzamide
CID 113092338
4-(aminomethyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide;dihydrochloride
CID 119828240
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
3-[(4-methylbenzoyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17470127
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 91675849
N-(5-amino-2-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91675480

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide?
The IUPAC name of N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide (CID 91675436) is N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide.
What is the SMILES notation for N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide?
The canonical SMILES for N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCCCC2)cc1.
What is the InChIKey of N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide?
The InChIKey is QNQGXPQJJMJQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-15-6-8-16(9-7-15)20(24)22-18-14-17(21)10-11-19(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 N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide?
N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide 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 N-(5-amino-2-piperidin-1-ylphenyl)-4-ethylbenzamide is sourced from PubChem (CID 91675436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).