[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

C16H20N4O2 — CID 71724974

IUPAC[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C16H20N4O2/c21-16(15-4-2-6-18-15)20-9-7-19(8-10-20)11-12-22-14-3-1-5-17-13-14/h1-6,13,18H,7-12H2
InChIKeyIOPOIQNKSCJDRU-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.25
Rot. Bonds5

About [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 71724974) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID71724974
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCN(CCOc2cccnc2)CC1
InChIInChI=1S/C16H20N4O2/c21-16(15-4-2-6-18-15)20-9-7-19(8-10-20)11-12-22-14-3-1-5-17-13-14/h1-6,13,18H,7-12H2
InChIKeyIOPOIQNKSCJDRU-UHFFFAOYSA-N
XLogP1.25
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 71724974) is [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCN(CCOc2cccnc2)CC1.
What is the InChIKey of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is IOPOIQNKSCJDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16(15-4-2-6-18-15)20-9-7-19(8-10-20)11-12-22-14-3-1-5-17-13-14/h1-6,13,18H,7-12H2.
What are the key properties of [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 71724974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).