1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea

C19H27N3O2 — CID 111636999

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC1CCN(c2cccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-14-7-9-22(10-8-14)18-4-2-3-16(12-18)20-19(24)21-17-6-5-15(11-17)13-23/h2-6,12,14-15,17,23H,7-11,13H2,1H3,(H2,20,21,24)/t15-,17+/m0/s1
InChIKeyFEEZDYKTVVSHEQ-DOTOQJQBSA-N
MW329.44 g/mol
LogP2.98
Rot. Bonds4

About 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea (PubChem CID 111636999) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
PubChem CID111636999
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
SMILESCC1CCN(c2cccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)c2)CC1
InChIInChI=1S/C19H27N3O2/c1-14-7-9-22(10-8-14)18-4-2-3-16(12-18)20-19(24)21-17-6-5-15(11-17)13-23/h2-6,12,14-15,17,23H,7-11,13H2,1H3,(H2,20,21,24)/t15-,17+/m0/s1
InChIKeyFEEZDYKTVVSHEQ-DOTOQJQBSA-N
XLogP2.98
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(3-methylpyrazol-1-yl)phenyl]urea
CID 75376315
1-(4-hydroxycyclohexyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443366
1-(3-fluoro-5-pyrrolidin-1-ylphenyl)-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 71864282
4-[[[3-(4-methylpiperidin-1-yl)phenyl]carbamoylamino]methyl]benzoic acid
CID 122085263
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-naphthalen-2-ylurea
CID 111631436
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(propan-2-yloxymethyl)phenyl]urea
CID 111631339
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(propan-2-ylsulfanylmethyl)phenyl]urea
CID 71864257
1-(3-hydroxybutyl)-3-[3-(4-methylpiperidin-1-yl)phenyl]urea
CID 111443368
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 111631446
1-[3-(cyclohexyloxymethyl)phenyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 111636902
1-[3-(4-methylpiperidin-1-yl)phenyl]-3-[(2R)-2-sulfamoylpropyl]urea
CID 97253655
3-amino-N-[3-(4-methylpiperidin-1-yl)phenyl]butanamide;dihydrochloride
CID 119892250

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea (CID 111636999) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea is CC1CCN(c2cccc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)c2)CC1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
The InChIKey is FEEZDYKTVVSHEQ-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-7-9-22(10-8-14)18-4-2-3-16(12-18)20-19(24)21-17-6-5-15(11-17)13-23/h2-6,12,14-15,17,23H,7-11,13H2,1H3,(H2,20,21,24)/t15-,17+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea has a molecular weight of 329.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[3-(4-methylpiperidin-1-yl)phenyl]urea is sourced from PubChem (CID 111636999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).