(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate

C11H17N3O4 — CID 21030166

IUPAC(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
SMILESCN1CCCC(NC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C11H17N3O4/c1-13-6-2-3-8(7-13)12-11(17)18-14-9(15)4-5-10(14)16/h8H,2-7H2,1H3,(H,12,17)
InChIKeyKQBBMWOUEKEXIT-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.13
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate

(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate (PubChem CID 21030166) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
PubChem CID21030166
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate
SMILESCN1CCCC(NC(=O)ON2C(=O)CCC2=O)C1
InChIInChI=1S/C11H17N3O4/c1-13-6-2-3-8(7-13)12-11(17)18-14-9(15)4-5-10(14)16/h8H,2-7H2,1H3,(H,12,17)
InChIKeyKQBBMWOUEKEXIT-UHFFFAOYSA-N
XLogP-0.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(1-methylpiperidin-3-yl)acetate
CID 146406428
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
(2,5-dioxopyrrolidin-1-yl) N-(1-benzylazepan-3-yl)carbamate
CID 72527776
(2,5-dioxopyrrolidin-1-yl) 3-[(1-methylpiperidin-3-yl)methoxycarbonylamino]propanoate
CID 59096569
(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
benzyl (4S)-4-[(2,5-dioxopyrrolidin-1-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59142710
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
N,1-dimethylpiperidin-3-amine;propan-2-one
CID 91110741
(Z)-2,3-dimethyl-4-[(1-methylpiperidin-3-yl)amino]-4-oxobut-2-enoic acid
CID 55169838
(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

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate (CID 21030166) is (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate is CN1CCCC(NC(=O)ON2C(=O)CCC2=O)C1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate?
The InChIKey is KQBBMWOUEKEXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-13-6-2-3-8(7-13)12-11(17)18-14-9(15)4-5-10(14)16/h8H,2-7H2,1H3,(H,12,17).
What are the key properties of (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate?
(2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate has a molecular weight of 255.27 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) N-(1-methylpiperidin-3-yl)carbamate is sourced from PubChem (CID 21030166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).