(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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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-N-methyl-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 11949318
(1R)-N-methyl-N-[(1S)-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide;dihydrochloride
CID 69210087
N-[(1R)-1-hydroxy-1-phenylethyl]-1-piperazin-1-yl-2,3-dihydroindene-1-carboxamide
CID 69208256
N-methyl-2-piperazin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-dihydroindene-2-carboxamide
CID 23147696
N-[(3,5-difluoro-4-methoxyphenyl)methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147823
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 87734830
N-benzyl-2-[(4S)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-methylacetamide
CID 2705995
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
N-benzyl-1-(2-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 110436719
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038
5-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61342915

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).