1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea

C18H33N3O2 — CID 99854860

IUPAC1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
SMILESO=C(NCCC[C@H]1CCCCO1)N[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H33N3O2/c22-18(19-11-5-9-17-8-3-4-13-23-17)20-15-10-12-21(14-15)16-6-1-2-7-16/h15-17H,1-14H2,(H2,19,20,22)/t15-,17-/m1/s1
InChIKeyFXQLYRRZWDPWTK-NVXWUHKLSA-N
MW323.48 g/mol
LogP2.65
Rot. Bonds6

About 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea

1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea (PubChem CID 99854860) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
PubChem CID99854860
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea
SMILESO=C(NCCC[C@H]1CCCCO1)N[C@@H]1CCN(C2CCCC2)C1
InChIInChI=1S/C18H33N3O2/c22-18(19-11-5-9-17-8-3-4-13-23-17)20-15-10-12-21(14-15)16-6-1-2-7-16/h15-17H,1-14H2,(H2,19,20,22)/t15-,17-/m1/s1
InChIKeyFXQLYRRZWDPWTK-NVXWUHKLSA-N
XLogP2.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964
3-[3-(oxan-2-yl)propylcarbamoylamino]propanoic acid
CID 122009972
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309399
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]urea
CID 95309401
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-cyclobutyl-3-(1-cyclopropylpyrrolidin-3-yl)urea
CID 115629326
1-[(1-methylpyrrol-3-yl)methyl]-3-[3-[(2S)-oxan-2-yl]propyl]urea
CID 97306655
2-methyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65158999
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea?
The IUPAC name of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea (CID 99854860) is 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea.
What is the SMILES notation for 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea?
The canonical SMILES for 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea is O=C(NCCC[C@H]1CCCCO1)N[C@@H]1CCN(C2CCCC2)C1.
What is the InChIKey of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea?
The InChIKey is FXQLYRRZWDPWTK-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-18(19-11-5-9-17-8-3-4-13-23-17)20-15-10-12-21(14-15)16-6-1-2-7-16/h15-17H,1-14H2,(H2,19,20,22)/t15-,17-/m1/s1.
What are the key properties of 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea?
1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea has a molecular weight of 323.48 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-[3-[(2R)-oxan-2-yl]propyl]urea is sourced from PubChem (CID 99854860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).