1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone

C16H19N3O — CID 116564776

IUPAC1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cccn1C1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16(11-13-3-1-7-18-12-13)15-4-2-10-19(15)14-5-8-17-9-6-14/h1-4,7,10,12,14,17H,5-6,8-9,11H2
InChIKeyCMEMQBTXOJOOKA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.23
Rot. Bonds4

About 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone

1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone (PubChem CID 116564776) 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-3-ylethanone.

Molecular Properties

Compound Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
PubChem CID116564776
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cccn1C1CCNCC1
InChIInChI=1S/C16H19N3O/c20-16(11-13-3-1-7-18-12-13)15-4-2-10-19(15)14-5-8-17-9-6-14/h1-4,7,10,12,14,17H,5-6,8-9,11H2
InChIKeyCMEMQBTXOJOOKA-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

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Related Compounds

(1-piperidin-4-ylpyrrol-2-yl)-pyrazin-2-ylmethanone
CID 116564790
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
2-(5-bromothiophen-2-yl)-1-(1-piperidin-4-ylpyrrol-2-yl)ethanone
CID 116564693
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
1-piperidin-4-yl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107588651
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716935
N-[2-(6-methyl-3-pyridinyl)ethyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 91645696
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone (CID 116564776) is 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cccn1C1CCNCC1.
What is the InChIKey of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone?
The InChIKey is CMEMQBTXOJOOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-16(11-13-3-1-7-18-12-13)15-4-2-10-19(15)14-5-8-17-9-6-14/h1-4,7,10,12,14,17H,5-6,8-9,11H2.
What are the key properties of 1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone?
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-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-3-ylethanone is sourced from PubChem (CID 116564776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).