(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one

C14H18ClN3O2 — CID 119279414

IUPAC(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(16)13(19)17-6-8-18(9-7-17)14(20)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3/t10-/m1/s1
InChIKeyGICQYLIIKSROTF-SNVBAGLBSA-N
MW295.77 g/mol
LogP0.97
Rot. Bonds2

About (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 119279414) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
PubChem CID119279414
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(16)13(19)17-6-8-18(9-7-17)14(20)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3/t10-/m1/s1
InChIKeyGICQYLIIKSROTF-SNVBAGLBSA-N
XLogP0.97
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119278856
(2S)-2-amino-1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-4-methylpentan-1-one
CID 119747828
(2S)-2-amino-1-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3,3-dimethylbutan-1-one
CID 119747798
(2S)-2-amino-1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282099
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-3-(methylamino)propan-1-one
CID 119704881
(2S)-2-amino-1-[4-(4-chlorobenzoyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119289954
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 46550455
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533859
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534102
2-(4-chlorophenyl)sulfanyl-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]propan-1-one
CID 86928896

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one (CID 119279414) is (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is GICQYLIIKSROTF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(16)13(19)17-6-8-18(9-7-17)14(20)11-2-4-12(15)5-3-11/h2-5,10H,6-9,16H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one has a molecular weight of 295.77 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119279414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).