5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

C26H29N3O4 — CID 134495188

IUPAC5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(C(C)C)NC(=O)NC4=O)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O4/c1-16(2)26(24(32)27-25(33)28-26)21-10-8-20(9-11-21)23(31)29-14-12-19(13-15-29)22(30)18-6-4-17(3)5-7-18/h4-11,16,19H,12-15H2,1-3H3,(H2,27,28,32,33)
InChIKeyZZLIAMQGZSDSDD-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.42
Rot. Bonds5

About 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione

5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134495188) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134495188
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(C(C)C)NC(=O)NC4=O)cc3)CC2)cc1
InChIInChI=1S/C26H29N3O4/c1-16(2)26(24(32)27-25(33)28-26)21-10-8-20(9-11-21)23(31)29-14-12-19(13-15-29)22(30)18-6-4-17(3)5-7-18/h4-11,16,19H,12-15H2,1-3H3,(H2,27,28,32,33)
InChIKeyZZLIAMQGZSDSDD-UHFFFAOYSA-N
XLogP3.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494258
5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495102
(5R)-5-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495001
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
(5R)-5-[4-[4-(5,7-dimethylindazol-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494344
(5R)-5-[4-[4-(5-methylpyrrolo[2,3-b]pyridin-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494410
(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494835
(5R)-5-[4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494747
(5R)-5-[4-[4-(7-methyl-1,3-benzoxazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495170
5-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494930
5-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495096
(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494470

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134495188) is 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc(C4(C(C)C)NC(=O)NC4=O)cc3)CC2)cc1.
What is the InChIKey of 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is ZZLIAMQGZSDSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-16(2)26(24(32)27-25(33)28-26)21-10-8-20(9-11-21)23(31)29-14-12-19(13-15-29)22(30)18-6-4-17(3)5-7-18/h4-11,16,19H,12-15H2,1-3H3,(H2,27,28,32,33).
What are the key properties of 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 447.54 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134495188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).