3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide

C29H33N3O2 — CID 158220237

IUPAC3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide
SMILESCc1ccc2c(c1)Cc1cc(Cc3ccccc3)nc(NCCCN3CCCCC3)c1-2.O=C=O
InChIInChI=1S/C28H33N3.CO2/c1-21-11-12-26-23(17-21)19-24-20-25(18-22-9-4-2-5-10-22)30-28(27(24)26)29-13-8-16-31-14-6-3-7-15-31;2-1-3/h2,4-5,9-12,17,20H,3,6-8,13-16,18-19H2,1H3,(H,29,30);
InChIKeyGDDOZIHDSHROPH-UHFFFAOYSA-N
MW455.60 g/mol
LogP5.26
Rot. Bonds7

About 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide

3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide (PubChem CID 158220237) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide.

Molecular Properties

Compound Name3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide
PubChem CID158220237
Molecular FormulaC29H33N3O2
Molecular Weight455.60 g/mol
Exact Mass455.26
IUPAC Name3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide
SMILESCc1ccc2c(c1)Cc1cc(Cc3ccccc3)nc(NCCCN3CCCCC3)c1-2.O=C=O
InChIInChI=1S/C28H33N3.CO2/c1-21-11-12-26-23(17-21)19-24-20-25(18-22-9-4-2-5-10-22)30-28(27(24)26)29-13-8-16-31-14-6-3-7-15-31;2-1-3/h2,4-5,9-12,17,20H,3,6-8,13-16,18-19H2,1H3,(H,29,30);
InChIKeyGDDOZIHDSHROPH-UHFFFAOYSA-N
XLogP5.26
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.60
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-2-(naphthalen-2-ylmethyl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 159626125
2-[(3-bromophenyl)methyl]-7-methyl-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine
CID 160802541
11-benzyl-5-methyl-N-(3-piperidin-1-ylpropyl)-3,10,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-amine
CID 160556515
carbon dioxide;N'-methyl-N'-[2-[[7-methyl-3-(thiophen-3-ylmethyl)-5H-indeno[1,2-c]pyridin-1-yl]amino]ethyl]ethane-1,2-diamine
CID 157140363
1-[4-(3-piperidin-1-ylpropylamino)-2-(pyridin-4-ylmethyl)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
CID 149273487
1-[2-(1-phenylethyl)-4-(3-piperidin-1-ylpropylamino)-9H-indeno[2,1-d]pyrimidin-7-yl]ethanone
CID 148526543
7-methyl-2-[(3-methylphenyl)methyl]-N-(3-piperidin-1-ylpropyl)-7,9-dihydro-6H-indeno[2,1-d]pyrimidin-4-amine
CID 157288816
5-benzyl-3-(4-chlorophenyl)-N-(3-piperidin-1-ylpropyl)-1,2,4-triazin-6-amine
CID 19787795
3-benzyl-1-(3-piperidin-1-ylpropylamino)-5H-pyrido[4,3-b]indole-7-carboximidamide
CID 144949156
2-chloro-N-(3-pyrrolidin-1-ylpropyl)quinazolin-4-amine
CID 12703170
2-amino-5-(2-methyltetrazol-5-yl)-3H-indene-1-carboxamide;2-benzyl-7-(2-methyltetrazol-5-yl)-N-(3-piperidin-1-ylpropyl)-9H-indeno[2,1-d]pyrimidin-4-amine;methyl 2-phenylacetate;3-piperidin-1-ylpropan-1-amine
CID 160530165
2-methyl-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10859009

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide?
The IUPAC name of 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide (CID 158220237) is 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide.
What is the SMILES notation for 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide?
The canonical SMILES for 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide is Cc1ccc2c(c1)Cc1cc(Cc3ccccc3)nc(NCCCN3CCCCC3)c1-2.O=C=O.
What is the InChIKey of 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide?
The InChIKey is GDDOZIHDSHROPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3.CO2/c1-21-11-12-26-23(17-21)19-24-20-25(18-22-9-4-2-5-10-22)30-28(27(24)26)29-13-8-16-31-14-6-3-7-15-31;2-1-3/h2,4-5,9-12,17,20H,3,6-8,13-16,18-19H2,1H3,(H,29,30);.
What are the key properties of 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide?
3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide has a molecular weight of 455.60 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-methyl-N-(3-piperidin-1-ylpropyl)-5H-indeno[1,2-c]pyridin-1-amine;carbon dioxide is sourced from PubChem (CID 158220237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).