1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

C17H27N3O — CID 61242976

IUPAC1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCn1cccc1C(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H27N3O/c1-18-9-5-6-16(18)17(21)14-19-12-7-15(8-13-19)20-10-3-2-4-11-20/h5-6,9,15H,2-4,7-8,10-14H2,1H3
InChIKeyBATBICORWFCKEH-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.16
Rot. Bonds4

About 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone

1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (PubChem CID 61242976) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
PubChem CID61242976
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
SMILESCn1cccc1C(=O)CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H27N3O/c1-18-9-5-6-16(18)17(21)14-19-12-7-15(8-13-19)20-10-3-2-4-11-20/h5-6,9,15H,2-4,7-8,10-14H2,1H3
InChIKeyBATBICORWFCKEH-UHFFFAOYSA-N
XLogP2.16
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone (CID 61242976) is 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is Cn1cccc1C(=O)CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
The InChIKey is BATBICORWFCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-18-9-5-6-16(18)17(21)14-19-12-7-15(8-13-19)20-10-3-2-4-11-20/h5-6,9,15H,2-4,7-8,10-14H2,1H3.
What are the key properties of 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone?
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone has a molecular weight of 289.42 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 61242976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).