1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C22H21Cl2N3O2 — CID 55751738

IUPAC1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H21Cl2N3O2/c23-18-6-3-5-17(21(18)24)22(29)27-12-10-26(11-13-27)20(28)9-8-15-14-25-19-7-2-1-4-16(15)19/h1-7,14,25H,8-13H2
InChIKeyLDQVWCAUXVRWQI-UHFFFAOYSA-N
MW430.34 g/mol
LogP4.39
Rot. Bonds4

About 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 55751738) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
PubChem CID55751738
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
SMILESO=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H21Cl2N3O2/c23-18-6-3-5-17(21(18)24)22(29)27-12-10-26(11-13-27)20(28)9-8-15-14-25-19-7-2-1-4-16(15)19/h1-7,14,25H,8-13H2
InChIKeyLDQVWCAUXVRWQI-UHFFFAOYSA-N
XLogP4.39
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
1-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 26757113
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
(2-chlorophenyl)-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]methanone
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1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 17426212
1-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 97017418
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(1H-indol-3-yl)propanamide
CID 55727249
1-[4-(6-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 55751738) is 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one is O=C(CCc1c[nH]c2ccccc12)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
The InChIKey is LDQVWCAUXVRWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c23-18-6-3-5-17(21(18)24)22(29)27-12-10-26(11-13-27)20(28)9-8-15-14-25-19-7-2-1-4-16(15)19/h1-7,14,25H,8-13H2.
What are the key properties of 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one?
1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 430.34 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 55751738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).