4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide

C15H25N5O — CID 108894759

IUPAC4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCN(CCN)CC2)cc1
InChIInChI=1S/C15H25N5O/c1-18(2)14-5-3-13(4-6-14)17-15(21)20-11-9-19(8-7-16)10-12-20/h3-6H,7-12,16H2,1-2H3,(H,17,21)
InChIKeyQAOZZTZUSNFSTH-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.86
Rot. Bonds4

About 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide

4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide (PubChem CID 108894759) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
PubChem CID108894759
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
SMILESCN(C)c1ccc(NC(=O)N2CCN(CCN)CC2)cc1
InChIInChI=1S/C15H25N5O/c1-18(2)14-5-3-13(4-6-14)17-15(21)20-11-9-19(8-7-16)10-12-20/h3-6H,7-12,16H2,1-2H3,(H,17,21)
InChIKeyQAOZZTZUSNFSTH-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-(2-aminoethyl)-N-[4-(methanesulfonamido)phenyl]piperazine-1-carboxamide
CID 108875241
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-(2-aminoethyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 43252398
N-[4-(dimethylamino)phenyl]-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109409
[4-(2-aminoethyl)-1,4-diazepan-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 43251681
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
N-[4-(dimethylamino)phenyl]-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111759
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
N-[4-(diethylamino)phenyl]-4-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105254

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide (CID 108894759) is 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide is CN(C)c1ccc(NC(=O)N2CCN(CCN)CC2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is QAOZZTZUSNFSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-18(2)14-5-3-13(4-6-14)17-15(21)20-11-9-19(8-7-16)10-12-20/h3-6H,7-12,16H2,1-2H3,(H,17,21).
What are the key properties of 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide?
4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 108894759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).