5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide

C15H22ClN3O — CID 107195785

IUPAC5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide
SMILESCCC1(C)CCN(c2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-15(2)4-6-19(7-5-15)13-11(14(18)20)8-10(17)9-12(13)16/h8-9H,3-7,17H2,1-2H3,(H2,18,20)
InChIKeyDXIQAOKSWRKLKH-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.04
Rot. Bonds3

About 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide

5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide (PubChem CID 107195785) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide
PubChem CID107195785
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide
SMILESCCC1(C)CCN(c2c(Cl)cc(N)cc2C(N)=O)CC1
InChIInChI=1S/C15H22ClN3O/c1-3-15(2)4-6-19(7-5-15)13-11(14(18)20)8-10(17)9-12(13)16/h8-9H,3-7,17H2,1-2H3,(H2,18,20)
InChIKeyDXIQAOKSWRKLKH-UHFFFAOYSA-N
XLogP3.04
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.04
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-2-(2-methyl-piperidin-1-yl)-benzamide
CID 2944844
N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 4541721
N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-2,2-dimethylbutanamide
CID 45269027
5-Amino-2-piperidin-1-yl-benzamide
CID 845164
5-Amino-2-(3-methyl-piperidin-1-yl)-benzamide
CID 3154279
[5-Amino-2-(4-methylpiperidin-1-yl)phenyl]-(3-chlorophenyl)methanone
CID 15072449
2-Amino-5-(piperidin-1-yl)benzamide
CID 10727606
2-amino-5-(3-chloro-4-fluoroanilino)-N-(2-chloro-6-methylphenyl)benzamide
CID 177656682
4-Chloro-2-(2,6-dimethylpiperidine-1-carbonyl)aniline
CID 16784167
5-amino-N-(3-chloro-4-fluorophenyl)-2-(4-fluoropiperidin-1-yl)benzamide
CID 58483302
N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-N',N'-dimethyl-butanediamide
CID 49775311
N-[4-chloro-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-N',N'-diethyl-butanediamide
CID 49775514

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide (CID 107195785) is 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide is CCC1(C)CCN(c2c(Cl)cc(N)cc2C(N)=O)CC1.
What is the InChIKey of 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide?
The InChIKey is DXIQAOKSWRKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-15(2)4-6-19(7-5-15)13-11(14(18)20)8-10(17)9-12(13)16/h8-9H,3-7,17H2,1-2H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide?
5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide has a molecular weight of 295.81 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(4-ethyl-4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 107195785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).