(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione

C27H34N4O3 — CID 42438417

IUPAC(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](c2ccccn2)(C2CCN(CCCc3ccccc3)CC2)C(=O)N1C[C@H]1CCCO1
InChIInChI=1S/C27H34N4O3/c32-25-27(24-12-4-5-15-28-24,29-26(33)31(25)20-23-11-7-19-34-23)22-13-17-30(18-14-22)16-6-10-21-8-2-1-3-9-21/h1-5,8-9,12,15,22-23H,6-7,10-11,13-14,16-20H2,(H,29,33)/t23-,27+/m1/s1
InChIKeyAPQXHVNPHTVCDJ-KCWPFWIISA-N
MW462.59 g/mol
LogP3.35
Rot. Bonds8

About (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione

(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 42438417) has the molecular formula C27H34N4O3 and a molecular weight of 462.59 g/mol. Its IUPAC name is (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID42438417
Molecular FormulaC27H34N4O3
Molecular Weight462.59 g/mol
Exact Mass462.26
IUPAC Name(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](c2ccccn2)(C2CCN(CCCc3ccccc3)CC2)C(=O)N1C[C@H]1CCCO1
InChIInChI=1S/C27H34N4O3/c32-25-27(24-12-4-5-15-28-24,29-26(33)31(25)20-23-11-7-19-34-23)22-13-17-30(18-14-22)16-6-10-21-8-2-1-3-9-21/h1-5,8-9,12,15,22-23H,6-7,10-11,13-14,16-20H2,(H,29,33)/t23-,27+/m1/s1
InChIKeyAPQXHVNPHTVCDJ-KCWPFWIISA-N
XLogP3.35
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(1-benzylpiperidin-4-yl)-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340144
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45180616
(5S)-5-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42397859
(5S)-5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42462024
(5R)-5-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42340619
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45196944
(5R)-3-[[(2S)-oxolan-2-yl]methyl]-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26361612
(5S)-5-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42432477
5-[1-[(2-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45166233
5-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-pyridin-2-ylimidazolidine-2,4-dione
CID 45233140
(5R)-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 42332168
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 26351024

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione (CID 42438417) is (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione is O=C1N[C@](c2ccccn2)(C2CCN(CCCc3ccccc3)CC2)C(=O)N1C[C@H]1CCCO1.
What is the InChIKey of (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is APQXHVNPHTVCDJ-KCWPFWIISA-N. The full InChI is InChI=1S/C27H34N4O3/c32-25-27(24-12-4-5-15-28-24,29-26(33)31(25)20-23-11-7-19-34-23)22-13-17-30(18-14-22)16-6-10-21-8-2-1-3-9-21/h1-5,8-9,12,15,22-23H,6-7,10-11,13-14,16-20H2,(H,29,33)/t23-,27+/m1/s1.
What are the key properties of (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione?
(5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 462.59 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(3-phenylpropyl)piperidin-4-yl]-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 42438417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).