(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

C27H30N4O2 — CID 42170913

IUPAC(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3ccc4cccnc4c3)CC2)N1
InChIInChI=1S/C27H30N4O2/c32-25-27(30-26(33)29-25,14-4-8-20-6-2-1-3-7-20)23-12-16-31(17-13-23)19-21-10-11-22-9-5-15-28-24(22)18-21/h1-3,5-7,9-11,15,18,23H,4,8,12-14,16-17,19H2,(H2,29,30,32,33)/t27-/m1/s1
InChIKeyWTJGCCPFVLPQDF-HHHXNRCGSA-N
MW442.56 g/mol
LogP4.05
Rot. Bonds7

About (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 42170913) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID42170913
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3ccc4cccnc4c3)CC2)N1
InChIInChI=1S/C27H30N4O2/c32-25-27(30-26(33)29-25,14-4-8-20-6-2-1-3-7-20)23-12-16-31(17-13-23)19-21-10-11-22-9-5-15-28-24(22)18-21/h1-3,5-7,9-11,15,18,23H,4,8,12-14,16-17,19H2,(H2,29,30,32,33)/t27-/m1/s1
InChIKeyWTJGCCPFVLPQDF-HHHXNRCGSA-N
XLogP4.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione with MolForge

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Related Compounds

5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45181974
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(5S)-5-(3-phenylpropyl)-5-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42168111
(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42274862
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
5-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45193668
(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42246930
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
(5S)-5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42169133
5-[1-(1-methyl-3-propylpyrazole-5-carbonyl)piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45177078

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 42170913) is (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is O=C1NC(=O)[C@@](CCCc2ccccc2)(C2CCN(Cc3ccc4cccnc4c3)CC2)N1.
What is the InChIKey of (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is WTJGCCPFVLPQDF-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O2/c32-25-27(30-26(33)29-25,14-4-8-20-6-2-1-3-7-20)23-12-16-31(17-13-23)19-21-10-11-22-9-5-15-28-24(22)18-21/h1-3,5-7,9-11,15,18,23H,4,8,12-14,16-17,19H2,(H2,29,30,32,33)/t27-/m1/s1.
What are the key properties of (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 442.56 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 42170913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).