(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate

C16H24N4O5 — CID 167430486

IUPAC(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate
SMILESCN1CCN([C@@H]2CCCC[C@H]2NC(=O)ON2C(=O)CCC2=O)C(=O)C1
InChIInChI=1S/C16H24N4O5/c1-18-8-9-19(15(23)10-18)12-5-3-2-4-11(12)17-16(24)25-20-13(21)6-7-14(20)22/h11-12H,2-10H2,1H3,(H,17,24)/t11-,12-/m1/s1
InChIKeyMYOFIWWGQOJDHE-VXGBXAGGSA-N
MW352.39 g/mol
LogP-0.14
Rot. Bonds3

About (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate

(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate (PubChem CID 167430486) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate
PubChem CID167430486
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate
SMILESCN1CCN([C@@H]2CCCC[C@H]2NC(=O)ON2C(=O)CCC2=O)C(=O)C1
InChIInChI=1S/C16H24N4O5/c1-18-8-9-19(15(23)10-18)12-5-3-2-4-11(12)17-16(24)25-20-13(21)6-7-14(20)22/h11-12H,2-10H2,1H3,(H,17,24)/t11-,12-/m1/s1
InChIKeyMYOFIWWGQOJDHE-VXGBXAGGSA-N
XLogP-0.14
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclohexyl]carbamate;(2,5-dioxopyrrolidin-1-yl) N-[2-(methylamino)cyclopentyl]carbamate;bis((2,5-dioxopyrrolidin-1-yl) N-methylcarbamate)
CID 159685030
(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
CID 21030166
1-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]-3-[(4-nitrophenyl)methyl]urea
CID 167430480
[(1R,2R)-2-(2-oxopyrrolidin-1-yl)cyclohexyl]carbamic acid
CID 138598293
1-cyclohexyl-4-methylpiperazin-2-one
CID 58742110
(2,5-dioxopyrrolidin-1-yl) N-hydroxycarbamate
CID 87500433
tert-butyl N-[2-(4-amino-2-oxopyrrolidin-1-yl)cyclohexyl]carbamate
CID 168698667
(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
CID 146406428
(2,5-dioxopyrrolidin-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 71744697
(2,5-dioxopyrrolidin-1-yl) N-(7-oxoazepan-4-yl)carbamate
CID 72527724
(2,5-dioxopyrrolidin-1-yl) N-[(4S)-7-oxoazepan-4-yl]carbamate
CID 59142752
(2,5-dioxopyrrolidin-1-yl) N-(1-benzylazepan-3-yl)carbamate
CID 72527776

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate (CID 167430486) is (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate is CN1CCN([C@@H]2CCCC[C@H]2NC(=O)ON2C(=O)CCC2=O)C(=O)C1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate?
The InChIKey is MYOFIWWGQOJDHE-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-18-8-9-19(15(23)10-18)12-5-3-2-4-11(12)17-16(24)25-20-13(21)6-7-14(20)22/h11-12H,2-10H2,1H3,(H,17,24)/t11-,12-/m1/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate?
(2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate has a molecular weight of 352.39 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-[(1R,2R)-2-(4-methyl-2-oxopiperazin-1-yl)cyclohexyl]carbamate is sourced from PubChem (CID 167430486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).