1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione

C20H21N5O5 — CID 131702064

IUPAC1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(C2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)CC2)C1=O
InChIInChI=1S/C20H21N5O5/c1-23-18(26)10-25(20(23)28)13-4-6-24(7-5-13)19(27)15-9-14(21-22-15)12-2-3-16-17(8-12)30-11-29-16/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,21,22)
InChIKeyWFNFRHFCQABBID-UHFFFAOYSA-N
MW411.42 g/mol
LogP1.30
Rot. Bonds3

About 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione

1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione (PubChem CID 131702064) has the molecular formula C20H21N5O5 and a molecular weight of 411.42 g/mol. Its IUPAC name is 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
PubChem CID131702064
Molecular FormulaC20H21N5O5
Molecular Weight411.42 g/mol
Exact Mass411.15
IUPAC Name1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
SMILESCN1C(=O)CN(C2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)CC2)C1=O
InChIInChI=1S/C20H21N5O5/c1-23-18(26)10-25(20(23)28)13-4-6-24(7-5-13)19(27)15-9-14(21-22-15)12-2-3-16-17(8-12)30-11-29-16/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,21,22)
InChIKeyWFNFRHFCQABBID-UHFFFAOYSA-N
XLogP1.30
TPSA108.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 90540518
[4-(benzenesulfonyl)piperidin-1-yl]-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]methanone
CID 71808766
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]methanone
CID 90506540
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162005
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]methanone
CID 90586790
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 90637026
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[(7S)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]methanone
CID 99878546
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-(4-chlorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 90587815
1-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850998
N-(1,3-benzodioxol-5-yl)-1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 39448224
3-[1-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-1,3-oxazolidine-2,4-dione
CID 121156683
[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-[3-[(dimethylamino)methyl]-1,4-thiazepan-4-yl]methanone
CID 90568225

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione (CID 131702064) is 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione is CN1C(=O)CN(C2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n[nH]3)CC2)C1=O.
What is the InChIKey of 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
The InChIKey is WFNFRHFCQABBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5/c1-23-18(26)10-25(20(23)28)13-4-6-24(7-5-13)19(27)15-9-14(21-22-15)12-2-3-16-17(8-12)30-11-29-16/h2-3,8-9,13H,4-7,10-11H2,1H3,(H,21,22).
What are the key properties of 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione?
1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione has a molecular weight of 411.42 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(1,3-benzodioxol-5-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 131702064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).