4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide

C15H25N5O — CID 14763494

IUPAC4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N5O/c1-18(2)8-7-17-15(21)20-11-9-19(10-12-20)14-5-3-13(16)4-6-14/h3-6H,7-12,16H2,1-2H3,(H,17,21)
InChIKeyIMIKATBBGSFGAC-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.66
Rot. Bonds4

About 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide

4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (PubChem CID 14763494) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
PubChem CID14763494
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
SMILESCN(C)CCNC(=O)N1CCN(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H25N5O/c1-18(2)8-7-17-15(21)20-11-9-19(10-12-20)14-5-3-13(16)4-6-14/h3-6H,7-12,16H2,1-2H3,(H,17,21)
InChIKeyIMIKATBBGSFGAC-UHFFFAOYSA-N
XLogP0.66
TPSA64.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763476
4-(4-bromo-3-methylphenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105872
N-[2-(dimethylamino)ethyl]-4-(4-phenylmethoxyphenyl)piperazine-1-carboxamide
CID 113105867
4-(3-acetamidophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105854
4-(3,4-difluorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106366
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-phenylpiperazin-1-yl)propanamide
CID 108943819
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
4-(3-chlorophenyl)-N-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 22107953
methyl 4-(4-aminophenyl)piperazine-1-carboxylate
CID 43461605

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide (CID 14763494) is 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is CN(C)CCNC(=O)N1CCN(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
The InChIKey is IMIKATBBGSFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-18(2)8-7-17-15(21)20-11-9-19(10-12-20)14-5-3-13(16)4-6-14/h3-6H,7-12,16H2,1-2H3,(H,17,21).
What are the key properties of 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide?
4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 14763494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).