1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone

C16H25N5O — CID 83980013

IUPAC1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
SMILESCN1CCN(C(=O)C(c2ccncc2)N2CCNCC2)CC1
InChIInChI=1S/C16H25N5O/c1-19-10-12-21(13-11-19)16(22)15(14-2-4-17-5-3-14)20-8-6-18-7-9-20/h2-5,15,18H,6-13H2,1H3
InChIKeyHRNKDGKMDZFSGG-UHFFFAOYSA-N
MW303.41 g/mol
LogP-0.20
Rot. Bonds3

About 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone

1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone (PubChem CID 83980013) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
PubChem CID83980013
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
SMILESCN1CCN(C(=O)C(c2ccncc2)N2CCNCC2)CC1
InChIInChI=1S/C16H25N5O/c1-19-10-12-21(13-11-19)16(22)15(14-2-4-17-5-3-14)20-8-6-18-7-9-20/h2-5,15,18H,6-13H2,1H3
InChIKeyHRNKDGKMDZFSGG-UHFFFAOYSA-N
XLogP-0.20
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980030
2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
CID 154975976
2-piperazin-1-yl-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979355
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
CID 83980011
1-(3-methylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)-2-phenylethanone
CID 119579647
1-(azepan-1-yl)-2-piperazin-1-yl-2-thiophen-2-ylethanone
CID 83979370
1-[(1S)-1-pyridin-4-ylethyl]piperazine;dihydrochloride
CID 171274136
(2S)-2-phenyl-2-piperazin-1-ylacetic acid
CID 93409057
1-[2-(4-methylpiperazin-1-yl)-2-phenylacetyl]piperidine-4-carboxylic acid
CID 119349525
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
1,3-dipyridin-4-yl-1,3-dipyrrolidin-1-ylpropan-2-one
CID 170562474
2-(3-methylpiperazin-1-yl)-1-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethanone
CID 83979348

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone (CID 83980013) is 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone is CN1CCN(C(=O)C(c2ccncc2)N2CCNCC2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
The InChIKey is HRNKDGKMDZFSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-19-10-12-21(13-11-19)16(22)15(14-2-4-17-5-3-14)20-8-6-18-7-9-20/h2-5,15,18H,6-13H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone?
1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone has a molecular weight of 303.41 g/mol, XLogP of -0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone is sourced from PubChem (CID 83980013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).