3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide

C16H26N4O — CID 82990426

IUPAC3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCC(N(C)C)C2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-4-18-16(21)12-7-8-15(14(17)10-12)20-9-5-6-13(11-20)19(2)3/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21)
InChIKeyRGVUUNDAVZQVRW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds4

About 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide

3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide (PubChem CID 82990426) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
PubChem CID82990426
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N2CCCC(N(C)C)C2)c(N)c1
InChIInChI=1S/C16H26N4O/c1-4-18-16(21)12-7-8-15(14(17)10-12)20-9-5-6-13(11-20)19(2)3/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21)
InChIKeyRGVUUNDAVZQVRW-UHFFFAOYSA-N
XLogP1.55
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]-N-ethylbenzamide
CID 83000134
3-amino-N-ethyl-4-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
CID 102955519
3-amino-4-[3-(dimethylamino)pyrrolidin-1-yl]benzoic acid
CID 63174789
4-amino-N-ethyl-3-(3-hydroxypiperidin-1-yl)benzamide
CID 55189651
3-amino-N-ethyl-4-(2-ethylpyrrolidin-1-yl)benzamide
CID 83000265
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
4-amino-N-ethyl-3-[3-(methoxymethyl)piperidin-1-yl]benzamide
CID 106585831
3-amino-N-ethyl-4-[2-(hydroxymethyl)morpholin-4-yl]benzamide
CID 82999408
1-[2-amino-4-(ethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 82989882
4-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 63358501
3-amino-4-(3-carbamoylpiperidin-1-yl)benzoic acid
CID 54888911
N-ethyl-3-methyl-4-pyrrolidin-1-ylbenzamide
CID 168512289

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide?
The IUPAC name of 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide (CID 82990426) is 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide.
What is the SMILES notation for 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide?
The canonical SMILES for 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide is CCNC(=O)c1ccc(N2CCCC(N(C)C)C2)c(N)c1.
What is the InChIKey of 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide?
The InChIKey is RGVUUNDAVZQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-18-16(21)12-7-8-15(14(17)10-12)20-9-5-6-13(11-20)19(2)3/h7-8,10,13H,4-6,9,11,17H2,1-3H3,(H,18,21).
What are the key properties of 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide?
3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[3-(dimethylamino)piperidin-1-yl]-N-ethylbenzamide is sourced from PubChem (CID 82990426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).