5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide

C24H29ClN4O2 — CID 166519378

IUPAC5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
SMILESCN(C)C(=O)N1CCc2cc(C(=O)CCN3CCN(c4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H29ClN4O2/c1-26(2)24(31)29-12-9-18-17-19(7-8-21(18)29)23(30)10-11-27-13-15-28(16-14-27)22-6-4-3-5-20(22)25/h3-8,17H,9-16H2,1-2H3
InChIKeyQNZRVJQDJNHWPS-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.78
Rot. Bonds5

About 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide (PubChem CID 166519378) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
PubChem CID166519378
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
SMILESCN(C)C(=O)N1CCc2cc(C(=O)CCN3CCN(c4ccccc4Cl)CC3)ccc21
InChIInChI=1S/C24H29ClN4O2/c1-26(2)24(31)29-12-9-18-17-19(7-8-21(18)29)23(30)10-11-27-13-15-28(16-14-27)22-6-4-3-5-20(22)25/h3-8,17H,9-16H2,1-2H3
InChIKeyQNZRVJQDJNHWPS-UHFFFAOYSA-N
XLogP3.78
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide
CID 166519385
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519396
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-piperazin-1-ylpropan-1-one
CID 82136459
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidin-1-ylpropan-1-one;dihydrochloride
CID 19375517
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(1,4-diazepan-1-yl)propan-1-one
CID 94724136
3-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029324
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-[methyl(pentan-3-yl)carbamoyl]-2,3-dihydroindole-5-carboxylic acid
CID 61201023
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762
1-acetyl-N-[2-(4-ethylpiperazin-1-yl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 51265836
1-[5-(2-chloroacetyl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-one
CID 28803845

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide (CID 166519378) is 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide is CN(C)C(=O)N1CCc2cc(C(=O)CCN3CCN(c4ccccc4Cl)CC3)ccc21.
What is the InChIKey of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
The InChIKey is QNZRVJQDJNHWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-26(2)24(31)29-12-9-18-17-19(7-8-21(18)29)23(30)10-11-27-13-15-28(16-14-27)22-6-4-3-5-20(22)25/h3-8,17H,9-16H2,1-2H3.
What are the key properties of 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide?
5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide has a molecular weight of 440.98 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-chlorophenyl)piperazin-1-yl]propanoyl]-N,N-dimethyl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 166519378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).