2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C20H30N4O2 — CID 70710101

IUPAC2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1N1CCN(C3CCCC3)C(CCO)C1)CCC2
InChIInChI=1S/C20H30N4O2/c21-19(26)17-12-14-4-3-7-18(14)22-20(17)23-9-10-24(15-5-1-2-6-15)16(13-23)8-11-25/h12,15-16,25H,1-11,13H2,(H2,21,26)
InChIKeyKPRBZVUSWXDADH-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.48
Rot. Bonds5

About 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 70710101) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID70710101
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1N1CCN(C3CCCC3)C(CCO)C1)CCC2
InChIInChI=1S/C20H30N4O2/c21-19(26)17-12-14-4-3-7-18(14)22-20(17)23-9-10-24(15-5-1-2-6-15)16(13-23)8-11-25/h12,15-16,25H,1-11,13H2,(H2,21,26)
InChIKeyKPRBZVUSWXDADH-UHFFFAOYSA-N
XLogP1.48
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 70710101) is 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cc2c(nc1N1CCN(C3CCCC3)C(CCO)C1)CCC2.
What is the InChIKey of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is KPRBZVUSWXDADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c21-19(26)17-12-14-4-3-7-18(14)22-20(17)23-9-10-24(15-5-1-2-6-15)16(13-23)8-11-25/h12,15-16,25H,1-11,13H2,(H2,21,26).
What are the key properties of 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopentyl-3-(2-hydroxyethyl)piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 70710101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).