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

C25H32N4O2 — CID 70684433

IUPACN,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1
InChIInChI=1S/C25H32N4O2/c1-19-8-4-6-10-21(19)28-16-14-27(15-17-28)13-12-24(30)29-22-11-7-5-9-20(22)18-23(29)25(31)26(2)3/h4-11,23H,12-18H2,1-3H3
InChIKeyNEUIUBALDWWPHC-UHFFFAOYSA-N
MW420.56 g/mol
LogP2.55
Rot. Bonds5

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

N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 70684433) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID70684433
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1
InChIInChI=1S/C25H32N4O2/c1-19-8-4-6-10-21(19)28-16-14-27(15-17-28)13-12-24(30)29-22-11-7-5-9-20(22)18-23(29)25(31)26(2)3/h4-11,23H,12-18H2,1-3H3
InChIKeyNEUIUBALDWWPHC-UHFFFAOYSA-N
XLogP2.55
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide (CID 70684433) is N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide is Cc1ccccc1N1CCN(CCC(=O)N2c3ccccc3CC2C(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is NEUIUBALDWWPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-8-4-6-10-21(19)28-16-14-27(15-17-28)13-12-24(30)29-22-11-7-5-9-20(22)18-23(29)25(31)26(2)3/h4-11,23H,12-18H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide?
N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[3-[4-(2-methylphenyl)piperazin-1-yl]propanoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70684433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).