3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide

C17H21N5O4 — CID 75277330

IUPAC3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide
SMILESO=C1CN(c2ccccc2NC(=O)CCN2CCC(=O)NC2=O)CCN1
InChIInChI=1S/C17H21N5O4/c23-14(5-8-21-9-6-15(24)20-17(21)26)19-12-3-1-2-4-13(12)22-10-7-18-16(25)11-22/h1-4H,5-11H2,(H,18,25)(H,19,23)(H,20,24,26)
InChIKeyPQEYGZJOPRTVQE-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.11
Rot. Bonds5

About 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide

3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide (PubChem CID 75277330) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide
PubChem CID75277330
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide
SMILESO=C1CN(c2ccccc2NC(=O)CCN2CCC(=O)NC2=O)CCN1
InChIInChI=1S/C17H21N5O4/c23-14(5-8-21-9-6-15(24)20-17(21)26)19-12-3-1-2-4-13(12)22-10-7-18-16(25)11-22/h1-4H,5-11H2,(H,18,25)(H,19,23)(H,20,24,26)
InChIKeyPQEYGZJOPRTVQE-UHFFFAOYSA-N
XLogP-0.11
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
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4-(2-propanoylphenyl)piperazin-2-one
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3-(2,4-dioxo-1,3-diazinan-1-yl)propanoic acid
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4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
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CID 7922288
3-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-(2-morpholin-4-ylphenyl)propanamide
CID 7922287
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide (CID 75277330) is 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide is O=C1CN(c2ccccc2NC(=O)CCN2CCC(=O)NC2=O)CCN1.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide?
The InChIKey is PQEYGZJOPRTVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c23-14(5-8-21-9-6-15(24)20-17(21)26)19-12-3-1-2-4-13(12)22-10-7-18-16(25)11-22/h1-4H,5-11H2,(H,18,25)(H,19,23)(H,20,24,26).
What are the key properties of 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide?
3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of -0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazinan-1-yl)-N-[2-(3-oxopiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 75277330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).