2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile

C19H23N3O — CID 59930298

IUPAC2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
SMILESCC(C)Oc1ccc(-c2cc(C#N)c(N3CCCCC3)[nH]2)cc1
InChIInChI=1S/C19H23N3O/c1-14(2)23-17-8-6-15(7-9-17)18-12-16(13-20)19(21-18)22-10-4-3-5-11-22/h6-9,12,14,21H,3-5,10-11H2,1-2H3
InChIKeyLQRWAMRRBGIDPL-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.33
Rot. Bonds4

About 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile

2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile (PubChem CID 59930298) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
PubChem CID59930298
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
SMILESCC(C)Oc1ccc(-c2cc(C#N)c(N3CCCCC3)[nH]2)cc1
InChIInChI=1S/C19H23N3O/c1-14(2)23-17-8-6-15(7-9-17)18-12-16(13-20)19(21-18)22-10-4-3-5-11-22/h6-9,12,14,21H,3-5,10-11H2,1-2H3
InChIKeyLQRWAMRRBGIDPL-UHFFFAOYSA-N
XLogP4.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile (CID 59930298) is 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile is CC(C)Oc1ccc(-c2cc(C#N)c(N3CCCCC3)[nH]2)cc1.
What is the InChIKey of 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile?
The InChIKey is LQRWAMRRBGIDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)23-17-8-6-15(7-9-17)18-12-16(13-20)19(21-18)22-10-4-3-5-11-22/h6-9,12,14,21H,3-5,10-11H2,1-2H3.
What are the key properties of 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile?
2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile has a molecular weight of 309.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).