(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one

C22H23N3O2 — CID 8597001

IUPAC(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-16(21(26)19-15-23-20-10-6-5-9-18(19)20)24-11-13-25(14-12-24)22(27)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3/t16-/m1/s1
InChIKeyGUNGUPCSJKMRAX-MRXNPFEDSA-N
MW361.44 g/mol
LogP3.20
Rot. Bonds4

About (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one

(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one (PubChem CID 8597001) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
PubChem CID8597001
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C22H23N3O2/c1-16(21(26)19-15-23-20-10-6-5-9-18(19)20)24-11-13-25(14-12-24)22(27)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3/t16-/m1/s1
InChIKeyGUNGUPCSJKMRAX-MRXNPFEDSA-N
XLogP3.20
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 56792883
tert-butyl 4-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60587797
(2S)-2-(4-hydroxypiperidin-1-yl)-1-(1H-indol-3-yl)propan-1-one
CID 34134673
2-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]propanamide
CID 47087719
(2S)-2-[4-(azepane-1-carbonyl)piperidin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 41045642
1-(1H-indol-3-yl)-2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
CID 3539661
1-(1H-indol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 46662835
2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 46614830
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
(2R)-1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 99978373
N-[1-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzenesulfonamide
CID 55498832

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one (CID 8597001) is (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one is C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is GUNGUPCSJKMRAX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16(21(26)19-15-23-20-10-6-5-9-18(19)20)24-11-13-25(14-12-24)22(27)17-7-3-2-4-8-17/h2-10,15-16,23H,11-14H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one?
(2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 361.44 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-benzoylpiperazin-1-yl)-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 8597001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).