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

C24H30N4O2 — CID 70686573

IUPACN,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N4O2/c1-25(2)24(30)22-18-19-8-6-7-11-21(19)28(22)23(29)12-13-26-14-16-27(17-15-26)20-9-4-3-5-10-20/h3-11,22H,12-18H2,1-2H3
InChIKeyUPZYHZOAFGHENY-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.24
Rot. Bonds5

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

N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide (PubChem CID 70686573) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
PubChem CID70686573
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide
SMILESCN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H30N4O2/c1-25(2)24(30)22-18-19-8-6-7-11-21(19)28(22)23(29)12-13-26-14-16-27(17-15-26)20-9-4-3-5-10-20/h3-11,22H,12-18H2,1-2H3
InChIKeyUPZYHZOAFGHENY-UHFFFAOYSA-N
XLogP2.24
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.24
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-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide (CID 70686573) is N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide is CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
The InChIKey is UPZYHZOAFGHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-25(2)24(30)22-18-19-8-6-7-11-21(19)28(22)23(29)12-13-26-14-16-27(17-15-26)20-9-4-3-5-10-20/h3-11,22H,12-18H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide?
N,N-dimethyl-1-[3-(4-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.24, 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-phenylpiperazin-1-yl)propanoyl]-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 70686573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).