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

C22H24ClN3O2 — CID 9357311

IUPAC(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O2/c1-16(21(27)26-11-10-17-6-2-5-9-20(17)26)24-12-14-25(15-13-24)22(28)18-7-3-4-8-19(18)23/h2-9,16H,10-15H2,1H3/t16-/m1/s1
InChIKeyPMVYZNQDEICRES-MRXNPFEDSA-N
MW397.91 g/mol
LogP3.08
Rot. Bonds3

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

(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 9357311) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID9357311
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C22H24ClN3O2/c1-16(21(27)26-11-10-17-6-2-5-9-20(17)26)24-12-14-25(15-13-24)22(28)18-7-3-4-8-19(18)23/h2-9,16H,10-15H2,1H3/t16-/m1/s1
InChIKeyPMVYZNQDEICRES-MRXNPFEDSA-N
XLogP3.08
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 2078561
1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
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2-[4-(2-chlorobenzoyl)piperazin-1-yl]propanethioamide
CID 63340028
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110365462
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-nitrophenyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 9357311) is (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is C[C@H](C(=O)N1CCc2ccccc21)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is PMVYZNQDEICRES-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-16(21(27)26-11-10-17-6-2-5-9-20(17)26)24-12-14-25(15-13-24)22(28)18-7-3-4-8-19(18)23/h2-9,16H,10-15H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one?
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 397.91 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 9357311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).