1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C18H29N5O3 — CID 70767797

IUPAC1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H29N5O3/c1-14(21-11-9-20(2)10-12-21)15-3-6-22(7-4-15)17(25)13-23-8-5-16(24)19-18(23)26/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3,(H,19,24,26)
InChIKeySCYNYYLTKSVPNJ-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.59
Rot. Bonds4

About 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 70767797) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID70767797
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
SMILESCC(C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H29N5O3/c1-14(21-11-9-20(2)10-12-21)15-3-6-22(7-4-15)17(25)13-23-8-5-16(24)19-18(23)26/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3,(H,19,24,26)
InChIKeySCYNYYLTKSVPNJ-UHFFFAOYSA-N
XLogP-0.59
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 46381317
1-[2-(4-Methylpiperidin-1-YL)-2-oxoethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 26643718
2-(3-cyclopropyl-2,6-dioxopyrimidin-1-yl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 164633051
1-[2-[(4aS,8aR)-1-(3-methylbutyl)-2-methylidene-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-oxoethyl]pyrimidine-2,4-dione;methane
CID 160310095
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-N-methyl-4-prop-2-enoyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 167202303
1-[[1-(Piperidin-4-ylmethyl)piperidin-4-yl]methyl]pyrimidine-2,4-dione
CID 176398392
2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 32918035
1-[2-(2,4-Dioxopyrimidin-1-yl)acetyl]piperidine-4-carboxamide
CID 32978517
1-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 36677443
1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 36677446
6-Amino-1-(1-azabicyclo[2.2.2]octan-3-yl)pyrimidine-2,4-dione
CID 43200218
1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 45798790

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 70767797) is 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is CC(C1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1)N1CCN(C)CC1.
What is the InChIKey of 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is SCYNYYLTKSVPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-14(21-11-9-20(2)10-12-21)15-3-6-22(7-4-15)17(25)13-23-8-5-16(24)19-18(23)26/h5,8,14-15H,3-4,6-7,9-13H2,1-2H3,(H,19,24,26).
What are the key properties of 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 363.46 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 70767797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).