5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C19H29N5O3 — CID 129338308

IUPAC5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1C
InChIInChI=1S/C19H29N5O3/c1-19(2)17(26)24(18(27)21-19)12-11-23-10-6-5-7-14(23)13-8-9-15(22(13)4)16(25)20-3/h8-9,14H,5-7,10-12H2,1-4H3,(H,20,25)(H,21,27)/t14-/m1/s1
InChIKeyMYDYYCVUZRBAGW-CQSZACIVSA-N
MW375.47 g/mol
LogP1.24
Rot. Bonds5

About 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129338308) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129338308
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1C
InChIInChI=1S/C19H29N5O3/c1-19(2)17(26)24(18(27)21-19)12-11-23-10-6-5-7-14(23)13-8-9-15(22(13)4)16(25)20-3/h8-9,14H,5-7,10-12H2,1-4H3,(H,20,25)(H,21,27)/t14-/m1/s1
InChIKeyMYDYYCVUZRBAGW-CQSZACIVSA-N
XLogP1.24
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129338308) is 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc([C@H]2CCCCN2CCN2C(=O)NC(C)(C)C2=O)n1C.
What is the InChIKey of 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is MYDYYCVUZRBAGW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-19(2)17(26)24(18(27)21-19)12-11-23-10-6-5-7-14(23)13-8-9-15(22(13)4)16(25)20-3/h8-9,14H,5-7,10-12H2,1-4H3,(H,20,25)(H,21,27)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129338308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).