1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide

C15H22N4O2 — CID 61089682

IUPAC1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1N
InChIInChI=1S/C15H22N4O2/c1-18(2)13-4-3-11(9-12(13)16)15(21)19-7-5-10(6-8-19)14(17)20/h3-4,9-10H,5-8,16H2,1-2H3,(H2,17,20)
InChIKeyATLVHZPMEZSXDS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.67
Rot. Bonds3

About 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide

1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide (PubChem CID 61089682) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
PubChem CID61089682
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide
SMILESCN(C)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1N
InChIInChI=1S/C15H22N4O2/c1-18(2)13-4-3-11(9-12(13)16)15(21)19-7-5-10(6-8-19)14(17)20/h3-4,9-10H,5-8,16H2,1-2H3,(H2,17,20)
InChIKeyATLVHZPMEZSXDS-UHFFFAOYSA-N
XLogP0.67
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.67
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-(dimethylamino)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 61092413
[3-amino-4-(dimethylamino)phenyl]-(3-methylpyrrolidin-1-yl)methanone
CID 61222522
[3-amino-4-(dimethylamino)phenyl]-(3-hydroxypyrrolidin-1-yl)methanone
CID 55131345
[3-amino-4-(dimethylamino)phenyl]-piperazin-1-ylmethanone
CID 110488299
[3-amino-4-(dimethylamino)phenyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114677517
[3-amino-4-(dimethylamino)phenyl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 61094890
1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 2935139
[3-amino-4-(dimethylamino)phenyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104957657
[3-amino-4-(dimethylamino)phenyl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 107210938
1-(4-amino-3-methylbenzoyl)pyrrolidine-3-carboxamide
CID 114081648
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
1-(3-amino-4-methylbenzoyl)piperidine-4-carboxylic acid
CID 61158258

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide (CID 61089682) is 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide is CN(C)c1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1N.
What is the InChIKey of 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide?
The InChIKey is ATLVHZPMEZSXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-18(2)13-4-3-11(9-12(13)16)15(21)19-7-5-10(6-8-19)14(17)20/h3-4,9-10H,5-8,16H2,1-2H3,(H2,17,20).
What are the key properties of 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide?
1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-(dimethylamino)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 61089682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).