(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide

C22H27N3O — CID 69209514

IUPAC(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@]1(N2CCNCC2)CCc2ccccc21
InChIInChI=1S/C22H27N3O/c1-24(17-18-7-3-2-4-8-18)21(26)22(25-15-13-23-14-16-25)12-11-19-9-5-6-10-20(19)22/h2-10,23H,11-17H2,1H3/t22-/m0/s1
InChIKeyLELXJXYMBQUUJW-QFIPXVFZSA-N
MW349.48 g/mol
LogP2.39
Rot. Bonds4

About (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide

(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide (PubChem CID 69209514) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
PubChem CID69209514
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@]1(N2CCNCC2)CCc2ccccc21
InChIInChI=1S/C22H27N3O/c1-24(17-18-7-3-2-4-8-18)21(26)22(25-15-13-23-14-16-25)12-11-19-9-5-6-10-20(19)22/h2-10,23H,11-17H2,1H3/t22-/m0/s1
InChIKeyLELXJXYMBQUUJW-QFIPXVFZSA-N
XLogP2.39
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The IUPAC name of (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide (CID 69209514) is (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide.
What is the SMILES notation for (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The canonical SMILES for (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide is CN(Cc1ccccc1)C(=O)[C@]1(N2CCNCC2)CCc2ccccc21.
What is the InChIKey of (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
The InChIKey is LELXJXYMBQUUJW-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(17-18-7-3-2-4-8-18)21(26)22(25-15-13-23-14-16-25)12-11-19-9-5-6-10-20(19)22/h2-10,23H,11-17H2,1H3/t22-/m0/s1.
What are the key properties of (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide?
(1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide is sourced from PubChem (CID 69209514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).