1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea

C20H40N4O2 — CID 18621155

IUPAC1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)C1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1
InChIInChI=1S/C20H40N4O2/c1-22(2)19-9-12-23(13-10-19)15-11-21-20(26)24(16-17-25)14-8-18-6-4-3-5-7-18/h18-19,25H,3-17H2,1-2H3,(H,21,26)
InChIKeyHGYWHLJEEPNACQ-UHFFFAOYSA-N
MW368.57 g/mol
LogP1.99
Rot. Bonds9

About 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea

1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea (PubChem CID 18621155) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea
PubChem CID18621155
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea
SMILESCN(C)C1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1
InChIInChI=1S/C20H40N4O2/c1-22(2)19-9-12-23(13-10-19)15-11-21-20(26)24(16-17-25)14-8-18-6-4-3-5-7-18/h18-19,25H,3-17H2,1-2H3,(H,21,26)
InChIKeyHGYWHLJEEPNACQ-UHFFFAOYSA-N
XLogP1.99
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea (CID 18621155) is 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea is CN(C)C1CCN(CCNC(=O)N(CCO)CCC2CCCCC2)CC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea?
The InChIKey is HGYWHLJEEPNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-22(2)19-9-12-23(13-10-19)15-11-21-20(26)24(16-17-25)14-8-18-6-4-3-5-7-18/h18-19,25H,3-17H2,1-2H3,(H,21,26).
What are the key properties of 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea?
1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea has a molecular weight of 368.57 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 18621155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).