N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide

C15H26N4O3 — CID 110748231

IUPACN-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESCN1C(=O)CC(N2CCN(C(=O)NCC(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)10-16-14(22)19-7-5-18(6-8-19)11-9-12(20)17(4)13(11)21/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyBKQPYGWSYSTTQY-UHFFFAOYSA-N
MW310.40 g/mol
LogP0.12
Rot. Bonds2

About N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide

N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide (PubChem CID 110748231) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide
PubChem CID110748231
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC NameN-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide
SMILESCN1C(=O)CC(N2CCN(C(=O)NCC(C)(C)C)CC2)C1=O
InChIInChI=1S/C15H26N4O3/c1-15(2,3)10-16-14(22)19-7-5-18(6-8-19)11-9-12(20)17(4)13(11)21/h11H,5-10H2,1-4H3,(H,16,22)
InChIKeyBKQPYGWSYSTTQY-UHFFFAOYSA-N
XLogP0.12
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-methyl-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 877553
1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652
N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 110754954
1-methyl-3-[4-[2-(3-methylphenyl)acetyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723679
methyl 4-(2,2-dimethylpropylcarbamoyl)piperazine-1-carboxylate
CID 110810861
1-methyl-3-[4-(pyrazine-2-carbonyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110743774
4-(cyclopropanecarbonyl)-N-(2,2-dimethylpropyl)-1,4-diazepane-1-carboxamide
CID 110811347
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
3-(3,4-dihydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358283
3-(3-hydroxypyrrolidin-1-yl)-1-methylpyrrolidine-2,5-dione
CID 107358243
3-(aminomethyl)-N-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide
CID 82508766
N-(2-hydroxy-2-methylpropyl)pyrrolidine-1-carboxamide
CID 78951144

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide (CID 110748231) is N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide is CN1C(=O)CC(N2CCN(C(=O)NCC(C)(C)C)CC2)C1=O.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide?
The InChIKey is BKQPYGWSYSTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-15(2,3)10-16-14(22)19-7-5-18(6-8-19)11-9-12(20)17(4)13(11)21/h11H,5-10H2,1-4H3,(H,16,22).
What are the key properties of N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide?
N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-(1-methyl-2,5-dioxopyrrolidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 110748231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).