2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone

C16H23N3O — CID 62499348

IUPAC2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
SMILESNc1cccc(CC(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C16H23N3O/c17-15-3-1-2-14(10-15)11-16(20)19-8-6-18(7-9-19)12-13-4-5-13/h1-3,10,13H,4-9,11-12,17H2
InChIKeyCCZKBFVNACVSLH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.37
Rot. Bonds4

About 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone

2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone (PubChem CID 62499348) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
PubChem CID62499348
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
SMILESNc1cccc(CC(=O)N2CCN(CC3CC3)CC2)c1
InChIInChI=1S/C16H23N3O/c17-15-3-1-2-14(10-15)11-16(20)19-8-6-18(7-9-19)12-13-4-5-13/h1-3,10,13H,4-9,11-12,17H2
InChIKeyCCZKBFVNACVSLH-UHFFFAOYSA-N
XLogP1.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)phenyl]-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone
CID 63589421
2-(3-aminophenyl)-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 65350257
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]aniline
CID 61440176
2-(3-aminophenyl)-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 63972458
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
2-(3-aminophenyl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 62499161
2-(4-aminophenyl)-1-[4-(cyclohexylmethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119843108
2-(3-aminophenyl)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 62499024
2-(3-aminophenyl)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone
CID 28689676
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 55955450
2-(3-aminophenyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 62499989

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone (CID 62499348) is 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone is Nc1cccc(CC(=O)N2CCN(CC3CC3)CC2)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CCZKBFVNACVSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-15-3-1-2-14(10-15)11-16(20)19-8-6-18(7-9-19)12-13-4-5-13/h1-3,10,13H,4-9,11-12,17H2.
What are the key properties of 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone?
2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone has a molecular weight of 273.38 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-[4-(cyclopropylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 62499348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).