4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide

C14H21N5O2 — CID 61108425

IUPAC4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C14H21N5O2/c1-17(2)14(21)19-7-5-18(6-8-19)13(20)11-4-3-10(15)9-12(11)16/h3-4,9H,5-8,15-16H2,1-2H3
InChIKeyFIEAGUDKMIZJOC-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.29
Rot. Bonds1

About 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide

4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 61108425) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID61108425
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccc(N)cc2N)CC1
InChIInChI=1S/C14H21N5O2/c1-17(2)14(21)19-7-5-18(6-8-19)13(20)11-4-3-10(15)9-12(11)16/h3-4,9H,5-8,15-16H2,1-2H3
InChIKeyFIEAGUDKMIZJOC-UHFFFAOYSA-N
XLogP0.29
TPSA95.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.29
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

(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(2,4-diaminophenyl)-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 62887479
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
1-[4-(2,4-diaminobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 61110043
4-(3-amino-2-chlorobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 115930358
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
(2,4-diaminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63168429
N,N-dimethyl-4-(2-sulfanylbenzoyl)piperazine-1-carboxamide
CID 108569403
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide (CID 61108425) is 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccc(N)cc2N)CC1.
What is the InChIKey of 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is FIEAGUDKMIZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-17(2)14(21)19-7-5-18(6-8-19)13(20)11-4-3-10(15)9-12(11)16/h3-4,9H,5-8,15-16H2,1-2H3.
What are the key properties of 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 61108425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).