(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione

C21H30N4O2 — CID 95220588

IUPAC(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCN1CCC(N2C(=O)N[C@@](Cc3ccccc3)(C3CCNCC3)C2=O)CC1
InChIInChI=1S/C21H30N4O2/c1-24-13-9-18(10-14-24)25-19(26)21(23-20(25)27,17-7-11-22-12-8-17)15-16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3,(H,23,27)/t21-/m0/s1
InChIKeyCYDNOVVTZDKJPB-NRFANRHFSA-N
MW370.50 g/mol
LogP1.61
Rot. Bonds4

About (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione

(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95220588) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95220588
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESCN1CCC(N2C(=O)N[C@@](Cc3ccccc3)(C3CCNCC3)C2=O)CC1
InChIInChI=1S/C21H30N4O2/c1-24-13-9-18(10-14-24)25-19(26)21(23-20(25)27,17-7-11-22-12-8-17)15-16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3,(H,23,27)/t21-/m0/s1
InChIKeyCYDNOVVTZDKJPB-NRFANRHFSA-N
XLogP1.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.61
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-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95229978
(5S)-3-cyclopentyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95209787
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
(5R)-5-benzyl-3-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95220360
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797
5-benzyl-5-piperidin-4-yl-3-(1,3-thiazol-2-ylmethyl)imidazolidine-2,4-dione;hydrochloride
CID 154887103
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56720812
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
3-but-2-ynyl-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118760432
(5S)-3-cyclopentyl-5-[(4-fluorophenyl)methyl]-5-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42274167
(5S)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216752
(5R)-3-(2-fluoroethyl)-5-(3-phenylpropyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95216753

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95220588) is (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione is CN1CCC(N2C(=O)N[C@@](Cc3ccccc3)(C3CCNCC3)C2=O)CC1.
What is the InChIKey of (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is CYDNOVVTZDKJPB-NRFANRHFSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-24-13-9-18(10-14-24)25-19(26)21(23-20(25)27,17-7-11-22-12-8-17)15-16-5-3-2-4-6-16/h2-6,17-18,22H,7-15H2,1H3,(H,23,27)/t21-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 370.50 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-(1-methylpiperidin-4-yl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95220588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).