2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

C19H28N4O2 — CID 120640613

IUPAC2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(N)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-15-5-6-16(20)13-17(15)19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12,14,20H2,1H3
InChIKeyZQTJGHPVKNOXNS-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.35
Rot. Bonds3

About 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone

2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 120640613) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
PubChem CID120640613
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
SMILESCc1ccc(N)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C19H28N4O2/c1-15-5-6-16(20)13-17(15)19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12,14,20H2,1H3
InChIKeyZQTJGHPVKNOXNS-UHFFFAOYSA-N
XLogP1.35
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-methylphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 61289642
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;dihydrochloride
CID 120646636
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120629969
[4-(5-amino-2-methylbenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 120622945
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
2-(4-aminophenyl)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 119836881
(5-amino-2-methylphenyl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120640078
1-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 120629543
2-(4-aminophenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837247
(5-amino-2-methylphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 61292135
(5-amino-2-methylphenyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone;hydrochloride
CID 120632356

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone (CID 120640613) is 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is Cc1ccc(N)cc1C(=O)N1CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is ZQTJGHPVKNOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-15-5-6-16(20)13-17(15)19(25)23-11-9-21(10-12-23)14-18(24)22-7-3-2-4-8-22/h5-6,13H,2-4,7-12,14,20H2,1H3.
What are the key properties of 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone?
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 344.46 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 120640613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).