1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

C16H33N3O2 — CID 111508190

IUPAC1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCN1CCC(CCNC(=O)NCC(O)C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O2/c1-5-19-10-7-13(8-11-19)6-9-17-15(21)18-12-14(20)16(2,3)4/h13-14,20H,5-12H2,1-4H3,(H2,17,18,21)
InChIKeyBZWDXBZVYXMXDC-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.81
Rot. Bonds6

About 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea

1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (PubChem CID 111508190) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
PubChem CID111508190
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
SMILESCCN1CCC(CCNC(=O)NCC(O)C(C)(C)C)CC1
InChIInChI=1S/C16H33N3O2/c1-5-19-10-7-13(8-11-19)6-9-17-15(21)18-12-14(20)16(2,3)4/h13-14,20H,5-12H2,1-4H3,(H2,17,18,21)
InChIKeyBZWDXBZVYXMXDC-UHFFFAOYSA-N
XLogP1.81
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)ethylurea
CID 90844616
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111508183
N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-(methylamino)acetamide
CID 120704735
1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338531
3-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 66165512
1-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 111111417
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]urea
CID 121497179
4-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
CID 120596855
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-2-thiophen-3-ylpropyl)urea
CID 111508204
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 111338291
2-amino-N-[2-(1-ethylpiperidin-4-yl)ethyl]-2-phenylacetamide;dihydrochloride
CID 119885013
1,3-bis(2-cyclopropylethyl)urea
CID 68635931

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea (CID 111508190) is 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The canonical SMILES for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is CCN1CCC(CCNC(=O)NCC(O)C(C)(C)C)CC1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
The InChIKey is BZWDXBZVYXMXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-5-19-10-7-13(8-11-19)6-9-17-15(21)18-12-14(20)16(2,3)4/h13-14,20H,5-12H2,1-4H3,(H2,17,18,21).
What are the key properties of 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea?
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea has a molecular weight of 299.46 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea is sourced from PubChem (CID 111508190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).