N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide

C16H24N4O — CID 61440037

IUPACN-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCN(C2CC2)CC1)c1ccc(N)cc1
InChIInChI=1S/C16H24N4O/c1-18(14-4-2-13(17)3-5-14)16(21)12-19-8-10-20(11-9-19)15-6-7-15/h2-5,15H,6-12,17H2,1H3
InChIKeyJXNADYDATKXEPU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.01
Rot. Bonds4

About N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide

N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide (PubChem CID 61440037) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
PubChem CID61440037
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCN(C2CC2)CC1)c1ccc(N)cc1
InChIInChI=1S/C16H24N4O/c1-18(14-4-2-13(17)3-5-14)16(21)12-19-8-10-20(11-9-19)15-6-7-15/h2-5,15H,6-12,17H2,1H3
InChIKeyJXNADYDATKXEPU-UHFFFAOYSA-N
XLogP1.01
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-2-(4-ethylpiperazin-1-yl)-N-methylacetamide
CID 43375589
N-(4-aminophenyl)-N-methyl-2-piperidin-1-ylacetamide
CID 22569644
N-(4-aminophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114797175
N-(4-aminophenyl)-2-[3-(cyclohexylmethyl)piperidin-1-yl]-N-methylacetamide
CID 154490639
N-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]-N-methylacetamide
CID 106585961
N-(4-aminophenyl)-N-methyl-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63003549
N-(4-aminophenyl)-2-(2,6-dimethylpiperidin-1-yl)-N-methylacetamide
CID 43375666
N-(4-aminophenyl)-N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62490458
N-(4-aminophenyl)-3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-1-carboxamide
CID 70219044
2-[4-(4-aminobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937139
N-(4-aminophenyl)-N-methyl-3-(4-methylpiperazin-1-yl)propanamide
CID 69059607
N,N-bis(4-aminophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 70061638

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide (CID 61440037) is N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide is CN(C(=O)CN1CCN(C2CC2)CC1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide?
The InChIKey is JXNADYDATKXEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18(14-4-2-13(17)3-5-14)16(21)12-19-8-10-20(11-9-19)15-6-7-15/h2-5,15H,6-12,17H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide?
N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide has a molecular weight of 288.39 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-(4-cyclopropylpiperazin-1-yl)-N-methylacetamide is sourced from PubChem (CID 61440037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).