1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone

C20H22ClN3O2 — CID 119306674

IUPAC1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESNCc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-18-4-2-1-3-17(18)13-19(25)23-9-11-24(12-10-23)20(26)16-7-5-15(14-22)6-8-16/h1-8H,9-14,22H2
InChIKeyNXRNRRDBGVVSGN-UHFFFAOYSA-N
MW371.87 g/mol
LogP2.33
Rot. Bonds4

About 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone

1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone (PubChem CID 119306674) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
PubChem CID119306674
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESNCc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1
InChIInChI=1S/C20H22ClN3O2/c21-18-4-2-1-3-17(18)13-19(25)23-9-11-24(12-10-23)20(26)16-7-5-15(14-22)6-8-16/h1-8H,9-14,22H2
InChIKeyNXRNRRDBGVVSGN-UHFFFAOYSA-N
XLogP2.33
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
CID 119754548
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
[4-(aminomethyl)phenyl]-piperidin-1-ylmethanone
CID 7131263
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 19294945
2-(2-chlorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798857
[4-(aminomethyl)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 119281929
[4-(aminomethyl)phenyl]-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 119302772
2-(2-chlorophenyl)-1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethanone
CID 60590696
(4-chlorophenyl)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19294991
(2S)-2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306660

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone (CID 119306674) is 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone is NCc1ccc(C(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
The InChIKey is NXRNRRDBGVVSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-18-4-2-1-3-17(18)13-19(25)23-9-11-24(12-10-23)20(26)16-7-5-15(14-22)6-8-16/h1-8H,9-14,22H2.
What are the key properties of 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone?
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone has a molecular weight of 371.87 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone is sourced from PubChem (CID 119306674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).