1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea

C15H29N3O2 — CID 97244266

IUPAC1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)NC1CCN(CC)CC1)[C@H]1CCCO1
InChIInChI=1S/C15H29N3O2/c1-3-13(14-6-5-11-20-14)17-15(19)16-12-7-9-18(4-2)10-8-12/h12-14H,3-11H2,1-2H3,(H2,16,17,19)/t13-,14+/m0/s1
InChIKeyWXKPYXGLTFHHGC-UONOGXRCSA-N
MW283.42 g/mol
LogP1.73
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea

1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea (PubChem CID 97244266) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
PubChem CID97244266
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea
SMILESCC[C@H](NC(=O)NC1CCN(CC)CC1)[C@H]1CCCO1
InChIInChI=1S/C15H29N3O2/c1-3-13(14-6-5-11-20-14)17-15(19)16-12-7-9-18(4-2)10-8-12/h12-14H,3-11H2,1-2H3,(H2,16,17,19)/t13-,14+/m0/s1
InChIKeyWXKPYXGLTFHHGC-UONOGXRCSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
N-[4-[[(1R)-1-[(2R)-oxolan-2-yl]propyl]amino]cyclohexyl]acetamide
CID 99634980
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 99830495
1-(1-methylsulfonylpiperidin-4-yl)-3-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]urea
CID 38311387
1-cyclohexyl-3-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 27450560
1-ethyl-N-[1-(oxolan-2-yl)ethyl]azepan-4-amine
CID 65074185
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
CID 90885725
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
CID 109491442
(2S)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 107569104
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)pentanamide
CID 103813279

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea (CID 97244266) is 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea is CC[C@H](NC(=O)NC1CCN(CC)CC1)[C@H]1CCCO1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea?
The InChIKey is WXKPYXGLTFHHGC-UONOGXRCSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-13(14-6-5-11-20-14)17-15(19)16-12-7-9-18(4-2)10-8-12/h12-14H,3-11H2,1-2H3,(H2,16,17,19)/t13-,14+/m0/s1.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea?
1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea has a molecular weight of 283.42 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-3-[(1S)-1-[(2R)-oxolan-2-yl]propyl]urea is sourced from PubChem (CID 97244266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).