2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone

C16H24N4O — CID 83980128

IUPAC2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
SMILESCC1CNCCN1C(C(=O)N1CCCC1)c1ccccn1
InChIInChI=1S/C16H24N4O/c1-13-12-17-8-11-20(13)15(14-6-2-3-7-18-14)16(21)19-9-4-5-10-19/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyXQZDRTZZQIVXAG-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.04
Rot. Bonds3

About 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone

2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone (PubChem CID 83980128) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
PubChem CID83980128
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
SMILESCC1CNCCN1C(C(=O)N1CCCC1)c1ccccn1
InChIInChI=1S/C16H24N4O/c1-13-12-17-8-11-20(13)15(14-6-2-3-7-18-14)16(21)19-9-4-5-10-19/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3
InChIKeyXQZDRTZZQIVXAG-UHFFFAOYSA-N
XLogP1.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
1-(azepan-1-yl)-2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylethanone
CID 83980147
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930
2-(2,5-dimethoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 112539846
(2R)-2-methyl-1-[(1S)-1-pyridin-2-ylethyl]sulfonylpiperazine
CID 129372961
2-(3-methylpiperazin-1-yl)-2-pyridin-2-ylacetic acid
CID 83980090
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
2-(4-methylphenyl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373433
1-(azepan-1-yl)-2-(2-ethylpiperazin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 112539341

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone (CID 83980128) is 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone is CC1CNCCN1C(C(=O)N1CCCC1)c1ccccn1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
The InChIKey is XQZDRTZZQIVXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-13-12-17-8-11-20(13)15(14-6-2-3-7-18-14)16(21)19-9-4-5-10-19/h2-3,6-7,13,15,17H,4-5,8-12H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone?
2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone has a molecular weight of 288.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 83980128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).