5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C18H27N5O3 — CID 129332120

IUPAC5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CCCN2C(=O)CNC2=O)n1C
InChIInChI=1S/C18H27N5O3/c1-19-17(25)15-8-7-13(21(15)2)14-6-3-4-9-22(14)10-5-11-23-16(24)12-20-18(23)26/h7-8,14H,3-6,9-12H2,1-2H3,(H,19,25)(H,20,26)/t14-/m1/s1
InChIKeyCVXBONSFVZGGHJ-CQSZACIVSA-N
MW361.45 g/mol
LogP0.85
Rot. Bonds6

About 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129332120) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129332120
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Name5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCCN2CCCN2C(=O)CNC2=O)n1C
InChIInChI=1S/C18H27N5O3/c1-19-17(25)15-8-7-13(21(15)2)14-6-3-4-9-22(14)10-5-11-23-16(24)12-20-18(23)26/h7-8,14H,3-6,9-12H2,1-2H3,(H,19,25)(H,20,26)/t14-/m1/s1
InChIKeyCVXBONSFVZGGHJ-CQSZACIVSA-N
XLogP0.85
TPSA86.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343540
5-[(2R)-1-[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129338308
N,1-dimethyl-5-[(2S)-1-[2-[(3S)-2-oxooxolan-3-yl]ethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337672
3-[3-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]propyl]imidazolidine-2,4-dione
CID 95048524
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
N,1-dimethyl-5-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrrole-2-carboxamide
CID 129329726
N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129002539
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129006816
5-[(2R)-1-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334945
5-[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342544
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129332120) is 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc([C@H]2CCCCN2CCCN2C(=O)CNC2=O)n1C.
What is the InChIKey of 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is CVXBONSFVZGGHJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-19-17(25)15-8-7-13(21(15)2)14-6-3-4-9-22(14)10-5-11-23-16(24)12-20-18(23)26/h7-8,14H,3-6,9-12H2,1-2H3,(H,19,25)(H,20,26)/t14-/m1/s1.
What are the key properties of 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[3-(2,5-dioxoimidazolidin-1-yl)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129332120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).