3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

C18H35N3O2 — CID 109397601

IUPAC3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCC1CC(C)CN(CCCNC(=O)N(C)CC2CCCC2O)C1
InChIInChI=1S/C18H35N3O2/c1-14-10-15(2)12-21(11-14)9-5-8-19-18(23)20(3)13-16-6-4-7-17(16)22/h14-17,22H,4-13H2,1-3H3,(H,19,23)
InChIKeyRDUCUGPHOPGSHJ-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.16
Rot. Bonds6

About 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea

3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (PubChem CID 109397601) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
PubChem CID109397601
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
SMILESCC1CC(C)CN(CCCNC(=O)N(C)CC2CCCC2O)C1
InChIInChI=1S/C18H35N3O2/c1-14-10-15(2)12-21(11-14)9-5-8-19-18(23)20(3)13-16-6-4-7-17(16)22/h14-17,22H,4-13H2,1-3H3,(H,19,23)
InChIKeyRDUCUGPHOPGSHJ-UHFFFAOYSA-N
XLogP2.16
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.16
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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-phenylpropyl)urea
CID 109397447
2-[2-(3,5-dimethylpiperidin-1-yl)ethyl]cyclopentan-1-ol
CID 79577432
1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[2-[(2S)-oxolan-2-yl]ethyl]urea
CID 97242721
3-[2-(4-ethylphenyl)ethyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398672
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(3-pyridin-2-ylpropyl)urea
CID 75432521
3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398829
3-[[(2S)-1,4-diazabicyclo[2.2.2]octan-2-yl]methyl]-1-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-methylurea
CID 129445929
1-cyclopropyl-3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(oxolan-3-ylmethyl)urea
CID 78891727
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
3-[(4,5-dichloro-1-methylpyrrol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398867
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[2-(4-methylphenyl)sulfanylethyl]urea
CID 109397494

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The IUPAC name of 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea (CID 109397601) is 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea.
What is the SMILES notation for 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The canonical SMILES for 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is CC1CC(C)CN(CCCNC(=O)N(C)CC2CCCC2O)C1.
What is the InChIKey of 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
The InChIKey is RDUCUGPHOPGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14-10-15(2)12-21(11-14)9-5-8-19-18(23)20(3)13-16-6-4-7-17(16)22/h14-17,22H,4-13H2,1-3H3,(H,19,23).
What are the key properties of 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea?
3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea has a molecular weight of 325.50 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea is sourced from PubChem (CID 109397601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).