2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C16H21N3O2 — CID 62703221

IUPAC2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1CCN(C3CC3)CC1)CCC2
InChIInChI=1S/C16H21N3O2/c20-16(21)13-10-11-2-1-3-14(11)17-15(13)19-8-6-18(7-9-19)12-4-5-12/h10,12H,1-9H2,(H,20,21)
InChIKeyKOUCXSNFASTGRL-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.55
Rot. Bonds3

About 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62703221) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62703221
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc2c(nc1N1CCN(C3CC3)CC1)CCC2
InChIInChI=1S/C16H21N3O2/c20-16(21)13-10-11-2-1-3-14(11)17-15(13)19-8-6-18(7-9-19)12-4-5-12/h10,12H,1-9H2,(H,20,21)
InChIKeyKOUCXSNFASTGRL-UHFFFAOYSA-N
XLogP1.55
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62703221) is 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is O=C(O)c1cc2c(nc1N1CCN(C3CC3)CC1)CCC2.
What is the InChIKey of 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is KOUCXSNFASTGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-16(21)13-10-11-2-1-3-14(11)17-15(13)19-8-6-18(7-9-19)12-4-5-12/h10,12H,1-9H2,(H,20,21).
What are the key properties of 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62703221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).