1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone

C16H19N3O — CID 116564830

IUPAC1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cccn1C1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16(12-13-4-1-2-8-18-13)15-5-3-11-19(15)14-6-9-17-10-7-14/h1-5,8,11,14,17H,6-7,9-10,12H2
InChIKeyPRRXTXUSQJHRLK-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.23
Rot. Bonds4

About 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone

1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone (PubChem CID 116564830) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone
PubChem CID116564830
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone
SMILESO=C(Cc1ccccn1)c1cccn1C1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16(12-13-4-1-2-8-18-13)15-5-3-11-19(15)14-6-9-17-10-7-14/h1-5,8,11,14,17H,6-7,9-10,12H2
InChIKeyPRRXTXUSQJHRLK-UHFFFAOYSA-N
XLogP2.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-piperidin-4-ylpyrrol-2-yl)-2-thiophen-3-ylethanone
CID 116564805
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
CID 116564790
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
1-(1,4-diazepan-1-yl)-3-pyridin-2-ylpropan-2-one
CID 116565633
1-piperidin-4-yl-N-(1H-pyrazol-5-yl)pyrrole-2-carboxamide
CID 62715754
morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
N-ethyl-1-piperidin-4-yl-N-propan-2-ylpyrrole-2-carboxamide
CID 62716450
(1-cyclopropylpyrrol-2-yl)-[4-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841949
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone?
The IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone (CID 116564830) is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone?
The canonical SMILES for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone is O=C(Cc1ccccn1)c1cccn1C1CCNCC1.
What is the InChIKey of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone?
The InChIKey is PRRXTXUSQJHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(12-13-4-1-2-8-18-13)15-5-3-11-19(15)14-6-9-17-10-7-14/h1-5,8,11,14,17H,6-7,9-10,12H2.
What are the key properties of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone?
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone has a molecular weight of 269.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 116564830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).