1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea

C18H25N3O2S — CID 124887163

IUPAC1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
SMILESCN(C(=O)NC[C@@H]1CCSC1)[C@@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H25N3O2S/c1-20(18(23)19-12-14-9-11-24-13-14)16-8-5-10-21(17(16)22)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,23)/t14-,16+/m0/s1
InChIKeyQXLNPKWWRKSMDX-GOEBONIOSA-N
MW347.48 g/mol
LogP2.58
Rot. Bonds4

About 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea

1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea (PubChem CID 124887163) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
PubChem CID124887163
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
SMILESCN(C(=O)NC[C@@H]1CCSC1)[C@@H]1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C18H25N3O2S/c1-20(18(23)19-12-14-9-11-24-13-14)16-8-5-10-21(17(16)22)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,23)/t14-,16+/m0/s1
InChIKeyQXLNPKWWRKSMDX-GOEBONIOSA-N
XLogP2.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea with MolForge

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Related Compounds

1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
CID 102557345
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119792253
1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide;hydrochloride
CID 119792252
N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938821
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120668615
(2S,5R)-5-(aminomethyl)-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)oxolane-2-carboxamide
CID 120793912

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea?
The IUPAC name of 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea (CID 124887163) is 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea.
What is the SMILES notation for 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea?
The canonical SMILES for 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea is CN(C(=O)NC[C@@H]1CCSC1)[C@@H]1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea?
The InChIKey is QXLNPKWWRKSMDX-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-20(18(23)19-12-14-9-11-24-13-14)16-8-5-10-21(17(16)22)15-6-3-2-4-7-15/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,19,23)/t14-,16+/m0/s1.
What are the key properties of 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea?
1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea has a molecular weight of 347.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea is sourced from PubChem (CID 124887163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).