2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

C18H25N3 — CID 95853016

IUPAC2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(C3CCCC3)c(CN3CCCCC3)c2c1
InChIInChI=1S/C18H25N3/c1-4-11-21(12-5-1)13-16-15-9-6-10-19-18(15)20-17(16)14-7-2-3-8-14/h6,9-10,14H,1-5,7-8,11-13H2,(H,19,20)
InChIKeyLSAGHPLPTCXICO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.21
Rot. Bonds3

About 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine

2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 95853016) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID95853016
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]c(C3CCCC3)c(CN3CCCCC3)c2c1
InChIInChI=1S/C18H25N3/c1-4-11-21(12-5-1)13-16-15-9-6-10-19-18(15)20-17(16)14-7-2-3-8-14/h6,9-10,14H,1-5,7-8,11-13H2,(H,19,20)
InChIKeyLSAGHPLPTCXICO-UHFFFAOYSA-N
XLogP4.21
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine (CID 95853016) is 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]c(C3CCCC3)c(CN3CCCCC3)c2c1.
What is the InChIKey of 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is LSAGHPLPTCXICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-4-11-21(12-5-1)13-16-15-9-6-10-19-18(15)20-17(16)14-7-2-3-8-14/h6,9-10,14H,1-5,7-8,11-13H2,(H,19,20).
What are the key properties of 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine?
2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 283.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-(piperidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 95853016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).