[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone

C20H29N3O — CID 123882865

IUPAC[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
SMILESCC1CN(C2CCc3ccc(N)cc32)CCN1C(=O)C1CCCC1
InChIInChI=1S/C20H29N3O/c1-14-13-22(10-11-23(14)20(24)16-4-2-3-5-16)19-9-7-15-6-8-17(21)12-18(15)19/h6,8,12,14,16,19H,2-5,7,9-11,13,21H2,1H3
InChIKeyPUNAOTPNGXOSAE-UHFFFAOYSA-N
MW327.47 g/mol
LogP2.98
Rot. Bonds2

About [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone

[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone (PubChem CID 123882865) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
PubChem CID123882865
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone
SMILESCC1CN(C2CCc3ccc(N)cc32)CCN1C(=O)C1CCCC1
InChIInChI=1S/C20H29N3O/c1-14-13-22(10-11-23(14)20(24)16-4-2-3-5-16)19-9-7-15-6-8-17(21)12-18(15)19/h6,8,12,14,16,19H,2-5,7,9-11,13,21H2,1H3
InChIKeyPUNAOTPNGXOSAE-UHFFFAOYSA-N
XLogP2.98
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 105490242
8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470466
(8R)-8-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 129395359
3-cyano-N-[1-[(3R)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]-2,3-dihydro-1H-inden-4-yl]benzamide
CID 155522706
1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79936509
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2,3-dihydro-1H-inden-5-amine
CID 79721838
(5-amino-2-methyl-2,3-dihydroindol-1-yl)-cyclohexylmethanone
CID 43550187
cyclohexyl-(1-hydroxy-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)methanone
CID 142769016
(7-amino-3,4-dihydro-2H-quinolin-1-yl)-cyclobutylmethanone
CID 55055284
4-(cyclopentanecarbonyl)-1-(2,3-dihydro-1H-inden-5-yl)-3-methylpiperazin-2-one
CID 24716134
2-methyl-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)piperidine-4-carboxylic acid
CID 106745469
4-(5-amino-2,3-dihydro-1H-inden-1-yl)-1-methyl-1,4-diazepan-2-one
CID 102887555

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone?
The IUPAC name of [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone (CID 123882865) is [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone.
What is the SMILES notation for [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone?
The canonical SMILES for [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone is CC1CN(C2CCc3ccc(N)cc32)CCN1C(=O)C1CCCC1.
What is the InChIKey of [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone?
The InChIKey is PUNAOTPNGXOSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-14-13-22(10-11-23(14)20(24)16-4-2-3-5-16)19-9-7-15-6-8-17(21)12-18(15)19/h6,8,12,14,16,19H,2-5,7,9-11,13,21H2,1H3.
What are the key properties of [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone?
[4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone has a molecular weight of 327.47 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-2,3-dihydro-1H-inden-1-yl)-2-methylpiperazin-1-yl]-cyclopentylmethanone is sourced from PubChem (CID 123882865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).