1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea

C13H27N3O2 — CID 96542994

IUPAC1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
SMILESCCN1CC[C@@H](N(C)C(=O)NCCOC)[C@H](C)C1
InChIInChI=1S/C13H27N3O2/c1-5-16-8-6-12(11(2)10-16)15(3)13(17)14-7-9-18-4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyQIZKGDFRTXFGEZ-VXGBXAGGSA-N
MW257.38 g/mol
LogP1.00
Rot. Bonds5

About 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea

1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea (PubChem CID 96542994) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea.

Molecular Properties

Compound Name1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
PubChem CID96542994
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
SMILESCCN1CC[C@@H](N(C)C(=O)NCCOC)[C@H](C)C1
InChIInChI=1S/C13H27N3O2/c1-5-16-8-6-12(11(2)10-16)15(3)13(17)14-7-9-18-4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12-/m1/s1
InChIKeyQIZKGDFRTXFGEZ-VXGBXAGGSA-N
XLogP1.00
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-(pyridin-4-ylmethyl)urea
CID 97028725
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 54956631
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-1-methyl-3-[2-(2,2,2-trifluoroethoxy)phenyl]urea
CID 97099748
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119893453
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414177
N-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-piperidin-4-ylpropanamide
CID 125120849
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 119893413
methyl 5-[[[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 100904757
1-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-1-methyl-3-prop-2-ynylurea
CID 96542989
1-(1-benzyl-3-methylpiperidin-4-yl)-1-methyl-3-prop-2-ynylurea
CID 71848262
5-tert-butyl-N-[(3S,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 129358148

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea?
The IUPAC name of 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea (CID 96542994) is 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea.
What is the SMILES notation for 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea?
The canonical SMILES for 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea is CCN1CC[C@@H](N(C)C(=O)NCCOC)[C@H](C)C1.
What is the InChIKey of 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea?
The InChIKey is QIZKGDFRTXFGEZ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-16-8-6-12(11(2)10-16)15(3)13(17)14-7-9-18-4/h11-12H,5-10H2,1-4H3,(H,14,17)/t11-,12-/m1/s1.
What are the key properties of 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea?
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea has a molecular weight of 257.38 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea is sourced from PubChem (CID 96542994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).