1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea

C12H25N3O — CID 57319630

IUPAC1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea
SMILESCCC1CCCCN1NC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-5-10-8-6-7-9-15(10)14-11(16)13-12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyNAFUNBIXPWLRAL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.26
Rot. Bonds2

About 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea

1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea (PubChem CID 57319630) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea
PubChem CID57319630
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea
SMILESCCC1CCCCN1NC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O/c1-5-10-8-6-7-9-15(10)14-11(16)13-12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14,16)
InChIKeyNAFUNBIXPWLRAL-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Amino-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 19609577
1-Butyl-1-(2,6-dimethylpiperidin-1-yl)urea
CID 20403154
1-(2,6-Dimethylpiperidin-1-yl)-1-ethylurea
CID 56983928
1-Butyl-3-(2-ethylpiperidin-1-yl)urea
CID 56999818
1-(2-Ethylpiperidin-1-yl)-3-methylurea
CID 57028176
1-Ethyl-3-(2-ethylpiperidin-1-yl)urea
CID 57128033
1-(2,6-Dimethylpiperidin-1-yl)-1-propylurea
CID 57163620
1-(2-Ethylpiperidin-1-yl)-3-propylurea
CID 57254165
1-Tert-butyl-3-(2-methylpiperidin-1-yl)urea
CID 57266490
(2,6-Dimethylpiperidin-1-yl)urea
CID 57306131
1-Amino-1-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 67555179
1-(2,2-Dimethylpiperidin-1-yl)-3-hexadecylurea
CID 139748396

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea?
The IUPAC name of 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea (CID 57319630) is 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea is CCC1CCCCN1NC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea?
The InChIKey is NAFUNBIXPWLRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-10-8-6-7-9-15(10)14-11(16)13-12(2,3)4/h10H,5-9H2,1-4H3,(H2,13,14,16).
What are the key properties of 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea?
1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea has a molecular weight of 227.35 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-ethylpiperidin-1-yl)urea is sourced from PubChem (CID 57319630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).