(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione

C19H27N3O2 — CID 97084068

IUPAC(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C19H27N3O2/c1-14(2)22-17(23)19(3,20-18(22)24)16-10-7-11-21(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3,(H,20,24)/t16-,19-/m1/s1
InChIKeyMSFJBFJLPSRNSR-VQIMIIECSA-N
MW329.44 g/mol
LogP2.62
Rot. Bonds4

About (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione

(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione (PubChem CID 97084068) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
PubChem CID97084068
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
SMILESCC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccccc3)C2)C1=O
InChIInChI=1S/C19H27N3O2/c1-14(2)22-17(23)19(3,20-18(22)24)16-10-7-11-21(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3,(H,20,24)/t16-,19-/m1/s1
InChIKeyMSFJBFJLPSRNSR-VQIMIIECSA-N
XLogP2.62
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(2-pyrazol-1-ylethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97084059
2-[3-(4-methyl-2,5-dioxo-1-propan-2-ylimidazolidin-4-yl)piperidin-1-yl]acetamide
CID 71927194
(5S)-5-[(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione
CID 129490445
3-ethyl-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-3-yl]imidazolidine-2,4-dione
CID 75422495
(5S)-3,5-dimethyl-5-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 96513816
3-[[(3S)-3-[(4R)-1,4-dimethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]benzonitrile
CID 97090059
(5R)-3,5-dimethyl-5-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97090037
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-benzyl-3-methylpiperidine
CID 2794856
CID 59694689
CID 59694689
1-benzyl-N-butan-2-ylpiperidin-3-amine
CID 43145137
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione (CID 97084068) is (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione is CC(C)N1C(=O)N[C@](C)([C@@H]2CCCN(Cc3ccccc3)C2)C1=O.
What is the InChIKey of (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is MSFJBFJLPSRNSR-VQIMIIECSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)22-17(23)19(3,20-18(22)24)16-10-7-11-21(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3,(H,20,24)/t16-,19-/m1/s1.
What are the key properties of (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione?
(5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 329.44 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3R)-1-benzylpiperidin-3-yl]-5-methyl-3-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 97084068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).