2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

C18H29N5O3 — CID 135990848

IUPAC2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CC2C(=O)NCCN2CC(C)(C)C)n1
InChIInChI=1S/C18H29N5O3/c1-12-9-16(25)22-14(21-12)5-6-19-15(24)10-13-17(26)20-7-8-23(13)11-18(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,19,24)(H,20,26)(H,21,22,25)
InChIKeyLNTBGYIEWAJTDA-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.03
Rot. Bonds6

About 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide

2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (PubChem CID 135990848) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
PubChem CID135990848
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)CC2C(=O)NCCN2CC(C)(C)C)n1
InChIInChI=1S/C18H29N5O3/c1-12-9-16(25)22-14(21-12)5-6-19-15(24)10-13-17(26)20-7-8-23(13)11-18(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,19,24)(H,20,26)(H,21,22,25)
InChIKeyLNTBGYIEWAJTDA-UHFFFAOYSA-N
XLogP-0.03
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6-hydroxy-4-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136112866
N-[2-(4,6-dihydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 56890314
2,6-Dimethyl-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
CID 63768847
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2S)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 95713261
N-[2-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-[(2R)-1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
CID 95713262
7-[2-(1-ethyl-3-oxopiperazin-2-yl)acetyl]-2-methyl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 135987003
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-(1-cyclopentyl-3-oxo-2-piperazinyl)acetamide
CID 135990809
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-{2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]ethyl}acetamide
CID 136050304
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136071057
N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 136071058
2-(1-isopropyl-3-oxopiperazin-2-yl)-N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]acetamide
CID 136083848
N-[2-(4-amino-6-hydroxy-2-pyrimidinyl)ethyl]-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]acetamide
CID 136100501

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide (CID 135990848) is 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is Cc1cc(=O)[nH]c(CCNC(=O)CC2C(=O)NCCN2CC(C)(C)C)n1.
What is the InChIKey of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is LNTBGYIEWAJTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-12-9-16(25)22-14(21-12)5-6-19-15(24)10-13-17(26)20-7-8-23(13)11-18(2,3)4/h9,13H,5-8,10-11H2,1-4H3,(H,19,24)(H,20,26)(H,21,22,25).
What are the key properties of 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide?
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 135990848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).