1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea

C18H34N4O2 — CID 95309401

IUPAC1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SMILESC[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H](C)O1
InChIInChI=1S/C18H34N4O2/c1-14-11-21(12-15(2)24-14)10-8-19-18(23)20-16-7-9-22(13-16)17-5-3-4-6-17/h14-17H,3-13H2,1-2H3,(H2,19,20,23)/t14-,15-,16-/m1/s1
InChIKeyLNUUACOLXLYYLI-BZUAXINKSA-N
MW338.50 g/mol
LogP1.41
Rot. Bonds5

About 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea

1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea (PubChem CID 95309401) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
PubChem CID95309401
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
SMILESC[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H](C)O1
InChIInChI=1S/C18H34N4O2/c1-14-11-21(12-15(2)24-14)10-8-19-18(23)20-16-7-9-22(13-16)17-5-3-4-6-17/h14-17H,3-13H2,1-2H3,(H2,19,20,23)/t14-,15-,16-/m1/s1
InChIKeyLNUUACOLXLYYLI-BZUAXINKSA-N
XLogP1.41
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 55793416
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
1-cyclopent-3-en-1-yl-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 97225657
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
CID 99854860
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-[2-(3-methylpiperidin-1-yl)ethyl]guanidine
CID 111919699
1-(1-cyclopentylpyrrolidin-3-yl)-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 119150649
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
N-(1-cyclopentylpyrrolidin-3-yl)-2-methylpropanamide
CID 110459860

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
The IUPAC name of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea (CID 95309401) is 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea.
What is the SMILES notation for 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
The canonical SMILES for 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea is C[C@@H]1CN(CCNC(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H](C)O1.
What is the InChIKey of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
The InChIKey is LNUUACOLXLYYLI-BZUAXINKSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-14-11-21(12-15(2)24-14)10-8-19-18(23)20-16-7-9-22(13-16)17-5-3-4-6-17/h14-17H,3-13H2,1-2H3,(H2,19,20,23)/t14-,15-,16-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea?
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea has a molecular weight of 338.50 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea is sourced from PubChem (CID 95309401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).