1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide

C20H27N4O3+ — CID 9325781

IUPAC1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O
InChIInChI=1S/C20H26N4O3/c1-20(15-7-8-15)18(26)24(19(27)22-20)13-23-11-9-14(10-12-23)17(25)21-16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,21,25)(H,22,27)/p+1/t20-/m0/s1
InChIKeyBAXRVELGYWJYLO-FQEVSTJZSA-O
MW371.46 g/mol
LogP0.60
Rot. Bonds5

About 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide

1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide (PubChem CID 9325781) has the molecular formula C20H27N4O3+ and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
PubChem CID9325781
Molecular FormulaC20H27N4O3+
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
SMILESC[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O
InChIInChI=1S/C20H26N4O3/c1-20(15-7-8-15)18(26)24(19(27)22-20)13-23-11-9-14(10-12-23)17(25)21-16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,21,25)(H,22,27)/p+1/t20-/m0/s1
InChIKeyBAXRVELGYWJYLO-FQEVSTJZSA-O
XLogP0.60
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9325765
(5S)-3-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 9235330
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-thiophen-3-ylacetamide
CID 97021772
(5S)-3-[[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 9320017
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 2577868
1-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134484
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
N-(2-benzylphenyl)-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 16556819
2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 30932708
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide (CID 9325781) is 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide is C[C@@]1(C2CC2)NC(=O)N(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O.
What is the InChIKey of 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
The InChIKey is BAXRVELGYWJYLO-FQEVSTJZSA-O. The full InChI is InChI=1S/C20H26N4O3/c1-20(15-7-8-15)18(26)24(19(27)22-20)13-23-11-9-14(10-12-23)17(25)21-16-5-3-2-4-6-16/h2-6,14-15H,7-13H2,1H3,(H,21,25)(H,22,27)/p+1/t20-/m0/s1.
What are the key properties of 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide?
1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide is sourced from PubChem (CID 9325781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).