5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane

C23H41N5O4 — CID 172611710

IUPAC5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane
SMILESCC(C)C.CC(C)CC1NCCN(CC(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)C1=O
InChIInChI=1S/C19H31N5O4.C4H10/c1-12(2)10-14-16(26)24(9-6-20-14)11-15(25)23-7-4-13(5-8-23)19(3)17(27)21-18(28)22-19;1-4(2)3/h12-14,20H,4-11H2,1-3H3,(H2,21,22,27,28);4H,1-3H3
InChIKeyIYHMCBBRZSBIGC-UHFFFAOYSA-N
MW451.61 g/mol
LogP1.33
Rot. Bonds5

About 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane

5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane (PubChem CID 172611710) has the molecular formula C23H41N5O4 and a molecular weight of 451.61 g/mol. Its IUPAC name is 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane.

Molecular Properties

Compound Name5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane
PubChem CID172611710
Molecular FormulaC23H41N5O4
Molecular Weight451.61 g/mol
Exact Mass451.32
IUPAC Name5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane
SMILESCC(C)C.CC(C)CC1NCCN(CC(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)C1=O
InChIInChI=1S/C19H31N5O4.C4H10/c1-12(2)10-14-16(26)24(9-6-20-14)11-15(25)23-7-4-13(5-8-23)19(3)17(27)21-18(28)22-19;1-4(2)3/h12-14,20H,4-11H2,1-3H3,(H2,21,22,27,28);4H,1-3H3
InChIKeyIYHMCBBRZSBIGC-UHFFFAOYSA-N
XLogP1.33
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.61
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-methylpropane;9-[2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 172611589
1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one
CID 172611720
3-(2-methylpropyl)-1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 172611708
5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 120982053
5-[1-(2-amino-3-methylpentanoyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 119809903
5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 127888669
1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
CID 172611723
(5S)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 6601758
1-[2-[10-methyl-3-[(2,2,3,3,4,4,5,5-octahydroxypyrrolidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
CID 172611592
2,2-dimethyl-1-[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 138033204
5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
5-methyl-5-[1-[3-(5-phenylfuran-2-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 91643956

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane?
The IUPAC name of 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane (CID 172611710) is 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane.
What is the SMILES notation for 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane?
The canonical SMILES for 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane is CC(C)C.CC(C)CC1NCCN(CC(=O)N2CCC(C3(C)NC(=O)NC3=O)CC2)C1=O.
What is the InChIKey of 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane?
The InChIKey is IYHMCBBRZSBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O4.C4H10/c1-12(2)10-14-16(26)24(9-6-20-14)11-15(25)23-7-4-13(5-8-23)19(3)17(27)21-18(28)22-19;1-4(2)3/h12-14,20H,4-11H2,1-3H3,(H2,21,22,27,28);4H,1-3H3.
What are the key properties of 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane?
5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane has a molecular weight of 451.61 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane is sourced from PubChem (CID 172611710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).