N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide

C21H27N3O — CID 91675435

IUPACN-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-3-16-4-6-17(7-5-16)21(25)23-19-14-18(22)8-9-20(19)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13,22H2,1-2H3,(H,23,25)
InChIKeyLAZOKAUHCVZTMP-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.32
Rot. Bonds4

About N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide

N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide (PubChem CID 91675435) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
PubChem CID91675435
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-3-16-4-6-17(7-5-16)21(25)23-19-14-18(22)8-9-20(19)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13,22H2,1-2H3,(H,23,25)
InChIKeyLAZOKAUHCVZTMP-UHFFFAOYSA-N
XLogP4.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.32
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-piperidin-1-ylphenyl)-4-ethylbenzamide
CID 91675436
N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-propan-2-ylbenzamide
CID 91675434
N-[2-(azepan-1-yl)phenyl]-4-ethylbenzamide
CID 18267161
5-[(4-ethylbenzoyl)amino]-N-[(4-fluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 4288926
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
N-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 91675849
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
4-ethyl-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]benzamide
CID 46038111
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
3-bromo-4-ethoxy-N-[2-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 4201717
methyl 3-[(2,6-difluorobenzoyl)amino]-4-(4-methylpiperidin-1-yl)benzoate
CID 5303629
5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
CID 118569665

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide (CID 91675435) is N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1.
What is the InChIKey of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide?
The InChIKey is LAZOKAUHCVZTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-3-16-4-6-17(7-5-16)21(25)23-19-14-18(22)8-9-20(19)24-12-10-15(2)11-13-24/h4-9,14-15H,3,10-13,22H2,1-2H3,(H,23,25).
What are the key properties of N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide?
N-[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide has a molecular weight of 337.47 g/mol, XLogP of 4.32, 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-(4-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 91675435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).