1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone

C12H16N4O2 — CID 110850335

IUPAC1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cncnc2C)CC1
InChIInChI=1S/C12H16N4O2/c1-9-11(7-13-8-14-9)12(18)16-5-3-15(4-6-16)10(2)17/h7-8H,3-6H2,1-2H3
InChIKeyNIPMCOABADPUKH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.09
Rot. Bonds1

About 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone

1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110850335) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID110850335
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cncnc2C)CC1
InChIInChI=1S/C12H16N4O2/c1-9-11(7-13-8-14-9)12(18)16-5-3-15(4-6-16)10(2)17/h7-8H,3-6H2,1-2H3
InChIKeyNIPMCOABADPUKH-UHFFFAOYSA-N
XLogP0.09
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70731143
(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
aziridin-1-yl-(4-ethylpyrimidin-5-yl)methanone
CID 131154697
[2-methyl-2-(morpholine-4-carbonyl)morpholin-4-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110253448
(5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(4-methylpyrimidin-5-yl)methanone
CID 74240903
(4-methylpyrimidin-5-yl)-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]methanone
CID 92632719
(4-imidazo[2,1-b][1,3]thiazol-3-ylpiperidin-1-yl)-(4-methylpyrimidin-5-yl)methanone
CID 124988703
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
(4-methylpyrimidin-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124553964
[4-[3-(3-methylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110841
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone (CID 110850335) is 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cncnc2C)CC1.
What is the InChIKey of 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is NIPMCOABADPUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-11(7-13-8-14-9)12(18)16-5-3-15(4-6-16)10(2)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 248.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpyrimidine-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110850335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).