1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea

C17H32N4O2 — CID 110910922

IUPAC1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCN1CCC(N2CCC(NC(=O)N(CCO)C3CC3)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-19-8-6-15(7-9-19)20-10-4-14(5-11-20)18-17(23)21(12-13-22)16-2-3-16/h14-16,22H,2-13H2,1H3,(H,18,23)
InChIKeyHASDSWICRYZKSF-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.71
Rot. Bonds5

About 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea

1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (PubChem CID 110910922) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
PubChem CID110910922
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Name1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCN1CCC(N2CCC(NC(=O)N(CCO)C3CC3)CC2)CC1
InChIInChI=1S/C17H32N4O2/c1-19-8-6-15(7-9-19)20-10-4-14(5-11-20)18-17(23)21(12-13-22)16-2-3-16/h14-16,22H,2-13H2,1H3,(H,18,23)
InChIKeyHASDSWICRYZKSF-UHFFFAOYSA-N
XLogP0.71
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 111106606
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CID 110874782
3-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]-1-cyclopropyl-1-(2-hydroxyethyl)urea
CID 97348085
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 110933391
1-benzyl-3-(1-cyclopentylpiperidin-4-yl)-1-(2-hydroxyethyl)urea
CID 111751499
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 111121133
1-cyclopentyl-3-(1-cyclopropylpiperidin-4-yl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 97080243
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
3-(ethylamino)-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 55121337
3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110882613
N-(2-hydroxyethyl)-2-methyl-3-(methylamino)-N-(1-methylpiperidin-4-yl)propanamide
CID 79202200

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (CID 110910922) is 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is CN1CCC(N2CCC(NC(=O)N(CCO)C3CC3)CC2)CC1.
What is the InChIKey of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The InChIKey is HASDSWICRYZKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-19-8-6-15(7-9-19)20-10-4-14(5-11-20)18-17(23)21(12-13-22)16-2-3-16/h14-16,22H,2-13H2,1H3,(H,18,23).
What are the key properties of 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea has a molecular weight of 324.47 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 110910922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).