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

C25H28N4O4 — CID 134494258

IUPAC(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)nc1
InChIInChI=1S/C25H28N4O4/c1-15(2)25(23(32)27-24(33)28-25)19-7-5-18(6-8-19)22(31)29-12-10-17(11-13-29)21(30)20-9-4-16(3)14-26-20/h4-9,14-15,17H,10-13H2,1-3H3,(H2,27,28,32,33)/t25-/m1/s1
InChIKeyLKMGUOWHRIFABX-RUZDIDTESA-N
MW448.52 g/mol
LogP2.82
Rot. Bonds5

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

(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 134494258) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID134494258
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCc1ccc(C(=O)C2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)nc1
InChIInChI=1S/C25H28N4O4/c1-15(2)25(23(32)27-24(33)28-25)19-7-5-18(6-8-19)22(31)29-12-10-17(11-13-29)21(30)20-9-4-16(3)14-26-20/h4-9,14-15,17H,10-13H2,1-3H3,(H2,27,28,32,33)/t25-/m1/s1
InChIKeyLKMGUOWHRIFABX-RUZDIDTESA-N
XLogP2.82
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.82
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-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495188
(5R)-5-[4-[4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495001
(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-(5,7-dimethylindazol-1-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494344
5-[4-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494930
(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-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
(5R)-5-[4-[4-(5,6-dimethyl-1-benzofuran-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494835
(2S,3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]-1-[4-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 134495042
(5R)-5-[4-[4-(5-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134494470
5-[4-[4-(5-fluoro-1-methylindol-3-yl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134495096
5-(fluoromethyl)-5-[4-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134495102

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione (CID 134494258) is (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is Cc1ccc(C(=O)C2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)nc1.
What is the InChIKey of (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is LKMGUOWHRIFABX-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28N4O4/c1-15(2)25(23(32)27-24(33)28-25)19-7-5-18(6-8-19)22(31)29-12-10-17(11-13-29)21(30)20-9-4-16(3)14-26-20/h4-9,14-15,17H,10-13H2,1-3H3,(H2,27,28,32,33)/t25-/m1/s1.
What are the key properties of (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione?
(5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 448.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[4-(5-methylpyridine-2-carbonyl)piperidine-1-carbonyl]phenyl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 134494258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).