1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole

C20H29N3 — CID 99938175

IUPAC1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
SMILESCCn1ccc2cc(CN3CC[C@@H](N4CCCCC4)C3)ccc21
InChIInChI=1S/C20H29N3/c1-2-22-13-8-18-14-17(6-7-20(18)22)15-21-12-9-19(16-21)23-10-4-3-5-11-23/h6-8,13-14,19H,2-5,9-12,15-16H2,1H3/t19-/m1/s1
InChIKeyBDDJRXQZDZGRGQ-LJQANCHMSA-N
MW311.47 g/mol
LogP3.72
Rot. Bonds4

About 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole

1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole (PubChem CID 99938175) has the molecular formula C20H29N3 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole.

Molecular Properties

Compound Name1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
PubChem CID99938175
Molecular FormulaC20H29N3
Molecular Weight311.47 g/mol
Exact Mass311.24
IUPAC Name1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole
SMILESCCn1ccc2cc(CN3CC[C@@H](N4CCCCC4)C3)ccc21
InChIInChI=1S/C20H29N3/c1-2-22-13-8-18-14-17(6-7-20(18)22)15-21-12-9-19(16-21)23-10-4-3-5-11-23/h6-8,13-14,19H,2-5,9-12,15-16H2,1H3/t19-/m1/s1
InChIKeyBDDJRXQZDZGRGQ-LJQANCHMSA-N
XLogP3.72
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
The IUPAC name of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole (CID 99938175) is 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole.
What is the SMILES notation for 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
The canonical SMILES for 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole is CCn1ccc2cc(CN3CC[C@@H](N4CCCCC4)C3)ccc21.
What is the InChIKey of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
The InChIKey is BDDJRXQZDZGRGQ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H29N3/c1-2-22-13-8-18-14-17(6-7-20(18)22)15-21-12-9-19(16-21)23-10-4-3-5-11-23/h6-8,13-14,19H,2-5,9-12,15-16H2,1H3/t19-/m1/s1.
What are the key properties of 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole?
1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole has a molecular weight of 311.47 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]indole is sourced from PubChem (CID 99938175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).