(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one

C14H18ClN3O2 — CID 119278856

IUPAC(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(16)13(19)17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8,16H2,1H3/t10-/m1/s1
InChIKeyPBVALOAWSKTBQV-SNVBAGLBSA-N
MW295.77 g/mol
LogP0.97
Rot. Bonds2

About (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one

(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one (PubChem CID 119278856) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
PubChem CID119278856
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C14H18ClN3O2/c1-10(16)13(19)17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8,16H2,1H3/t10-/m1/s1
InChIKeyPBVALOAWSKTBQV-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-(4-chlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279414
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
(2S)-2-amino-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 119282271
2-amino-1-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]pentan-1-one
CID 119302778
4-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120559709
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
(3-chlorophenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743763
(2S)-2-amino-1-(4-benzoyl-1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119291825
[4-(1-chloroethyl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 106839026
5-bromo-N-[1-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55823915
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 119703799
(3-aminophenyl)-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119747861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one (CID 119278856) is (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one?
The InChIKey is PBVALOAWSKTBQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(16)13(19)17-5-7-18(8-6-17)14(20)11-3-2-4-12(15)9-11/h2-4,9-10H,5-8,16H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-(3-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-(3-chlorobenzoyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119278856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).