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

C16H24N4O2 — CID 83980011

IUPAC2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
SMILESCC1CNCCN1C(C(=O)N1CCOCC1)c1ccncc1
InChIInChI=1S/C16H24N4O2/c1-13-12-18-6-7-20(13)15(14-2-4-17-5-3-14)16(21)19-8-10-22-11-9-19/h2-5,13,15,18H,6-12H2,1H3
InChIKeyBAEVVQRHCXPJQH-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.28
Rot. Bonds3

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

2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone (PubChem CID 83980011) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
PubChem CID83980011
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone
SMILESCC1CNCCN1C(C(=O)N1CCOCC1)c1ccncc1
InChIInChI=1S/C16H24N4O2/c1-13-12-18-6-7-20(13)15(14-2-4-17-5-3-14)16(21)19-8-10-22-11-9-19/h2-5,13,15,18H,6-12H2,1H3
InChIKeyBAEVVQRHCXPJQH-UHFFFAOYSA-N
XLogP0.28
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpiperazin-1-yl)-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 83980128
1-(4-methylpiperidin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980030
2-(2-methylpiperazin-1-yl)-1-pyrrolidin-1-yl-2-thiophen-2-ylethanone
CID 83979354
1-(4-methylpiperazin-1-yl)-2-piperazin-1-yl-2-pyridin-4-ylethanone
CID 83980013
2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)-1-piperidin-1-ylethanone
CID 83978057
2-methoxy-1-piperazin-1-yl-2-pyridin-4-ylethanone
CID 154975976
1-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)-2-(2-methylpiperazin-1-yl)ethanone
CID 112539372
(3S)-1-[(2R)-2-methylpiperazin-1-yl]-3-pyridin-4-ylbutan-1-one
CID 124570764
2-[4-(diethylamino)phenyl]-2-(2-methylpiperazin-1-yl)acetic acid
CID 83978214
1-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazine-2-carbonitrile
CID 79085884
2-morpholin-4-yl-2-pyridin-4-ylacetamide
CID 25219323
2-[(2R)-2-methylpiperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 82755930

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone?
The IUPAC name of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone (CID 83980011) is 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone.
What is the SMILES notation for 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone?
The canonical SMILES for 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone is CC1CNCCN1C(C(=O)N1CCOCC1)c1ccncc1.
What is the InChIKey of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone?
The InChIKey is BAEVVQRHCXPJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13-12-18-6-7-20(13)15(14-2-4-17-5-3-14)16(21)19-8-10-22-11-9-19/h2-5,13,15,18H,6-12H2,1H3.
What are the key properties of 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone?
2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone has a molecular weight of 304.39 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperazin-1-yl)-1-morpholin-4-yl-2-pyridin-4-ylethanone is sourced from PubChem (CID 83980011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).