2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one

C20H26N2O — CID 91754487

IUPAC2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one
SMILESCC1(CCN2CCCCC2)CCc2c([nH]c3ccccc23)C1=O
InChIInChI=1S/C20H26N2O/c1-20(11-14-22-12-5-2-6-13-22)10-9-16-15-7-3-4-8-17(15)21-18(16)19(20)23/h3-4,7-8,21H,2,5-6,9-14H2,1H3
InChIKeyVZNDMSYSKJWVES-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.18
Rot. Bonds3

About 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one

2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one (PubChem CID 91754487) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one.

Molecular Properties

Compound Name2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one
PubChem CID91754487
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one
SMILESCC1(CCN2CCCCC2)CCc2c([nH]c3ccccc23)C1=O
InChIInChI=1S/C20H26N2O/c1-20(11-14-22-12-5-2-6-13-22)10-9-16-15-7-3-4-8-17(15)21-18(16)19(20)23/h3-4,7-8,21H,2,5-6,9-14H2,1H3
InChIKeyVZNDMSYSKJWVES-UHFFFAOYSA-N
XLogP4.18
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 45098939
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CID 22767294
2-(piperidin-1-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 22154185
spiro[3,6,7,12-tetrahydroindolo[2,3-a]quinolizine-2,1'-cyclohexane]-4-one
CID 165342130
1'-benzyl-2-(2-pyrrolidin-1-ylethyl)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-piperidine]
CID 3076353
3,3-dimethyl-1-(piperidin-1-ylmethyl)-1,2,4,5-tetrahydropyrido[4,3-b]indole
CID 23266875
5-phenyl-5-(2-pyrrolidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3035309
1-ethyl-3,5,6,11-tetrahydro-2H-indolizino[8,7-b]indole
CID 70535428
2-piperidin-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 166309093
2-methylsulfanyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 901181
2-methylspiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,4'-thiane]
CID 10468482
3-(1-pyrrolidin-1-ylpropan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 61237983

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one?
The IUPAC name of 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one (CID 91754487) is 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one.
What is the SMILES notation for 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one?
The canonical SMILES for 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one is CC1(CCN2CCCCC2)CCc2c([nH]c3ccccc23)C1=O.
What is the InChIKey of 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one?
The InChIKey is VZNDMSYSKJWVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-20(11-14-22-12-5-2-6-13-22)10-9-16-15-7-3-4-8-17(15)21-18(16)19(20)23/h3-4,7-8,21H,2,5-6,9-14H2,1H3.
What are the key properties of 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one?
2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one has a molecular weight of 310.44 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-piperidin-1-ylethyl)-4,9-dihydro-3H-carbazol-1-one is sourced from PubChem (CID 91754487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).