1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea

C17H22N4O2 — CID 124616847

IUPAC1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea
SMILESCN(C(=O)Nc1ccon1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-20(17(22)18-16-9-11-23-19-16)15-8-5-10-21(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,18,19,22)/t15-/m0/s1
InChIKeyKZLAJBQPEIZXLG-HNNXBMFYSA-N
MW314.39 g/mol
LogP2.80
Rot. Bonds4

About 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea

1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea (PubChem CID 124616847) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea
PubChem CID124616847
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea
SMILESCN(C(=O)Nc1ccon1)[C@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H22N4O2/c1-20(17(22)18-16-9-11-23-19-16)15-8-5-10-21(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,18,19,22)/t15-/m0/s1
InChIKeyKZLAJBQPEIZXLG-HNNXBMFYSA-N
XLogP2.80
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 98773676
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
CID 66563977
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-(1-benzylpiperidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 136511620
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542
N-(1-benzylpiperidin-3-yl)-1-tert-butyl-N-methyltriazole-4-carboxamide
CID 139008017
N-[(3S)-1-benzylpyrrolidin-3-yl]-N-methyl-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 124861348
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
N-[2-[(3S)-1-benzylpyrrolidin-3-yl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 124588979
N-[(3S)-1-benzylpiperidin-3-yl]-2-chloro-N-cyclopropylacetamide
CID 66565177

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea (CID 124616847) is 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea is CN(C(=O)Nc1ccon1)[C@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea?
The InChIKey is KZLAJBQPEIZXLG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(17(22)18-16-9-11-23-19-16)15-8-5-10-21(13-15)12-14-6-3-2-4-7-14/h2-4,6-7,9,11,15H,5,8,10,12-13H2,1H3,(H,18,19,22)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea?
1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea has a molecular weight of 314.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-benzylpiperidin-3-yl]-1-methyl-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 124616847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).