1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea

C17H33N3O2 — CID 111504183

IUPAC1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CCCNC(=O)NC2CCCC2(C)CO)CC1
InChIInChI=1S/C17H33N3O2/c1-14-6-11-20(12-7-14)10-4-9-18-16(22)19-15-5-3-8-17(15,2)13-21/h14-15,21H,3-13H2,1-2H3,(H2,18,19,22)
InChIKeySVXNJECCFMCZPD-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.96
Rot. Bonds6

About 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 111504183) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID111504183
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN(CCCNC(=O)NC2CCCC2(C)CO)CC1
InChIInChI=1S/C17H33N3O2/c1-14-6-11-20(12-7-14)10-4-9-18-16(22)19-15-5-3-8-17(15,2)13-21/h14-15,21H,3-13H2,1-2H3,(H2,18,19,22)
InChIKeySVXNJECCFMCZPD-UHFFFAOYSA-N
XLogP1.96
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 111505787
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(3-phenylpropyl)urea
CID 111503849
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504669
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[2-(3-methylbutoxy)ethyl]urea
CID 111505389
1-amino-N-[4-(4-methylpiperidin-1-yl)butyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119852388
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-(2-methoxy-2-methylpropyl)urea
CID 111508607
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 111505618
2-bromo-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 63679463
(2S)-2-(hydroxymethyl)-N-[3-(4-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboxamide
CID 111427784
2-[1-(aminomethyl)cyclobutyl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 81172973
2-(hydroxymethyl)-N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboxamide
CID 111427923
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea (CID 111504183) is 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN(CCCNC(=O)NC2CCCC2(C)CO)CC1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is SVXNJECCFMCZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-6-11-20(12-7-14)10-4-9-18-16(22)19-15-5-3-8-17(15,2)13-21/h14-15,21H,3-13H2,1-2H3,(H2,18,19,22).
What are the key properties of 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea?
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 311.47 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[3-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 111504183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).