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

C14H25N3O2 — CID 111630982

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C1
InChIInChI=1S/C14H25N3O2/c1-17-6-2-3-12(9-17)8-15-14(19)16-13-5-4-11(7-13)10-18/h4-5,11-13,18H,2-3,6-10H2,1H3,(H2,15,16,19)/t11-,12?,13+/m0/s1
InChIKeyHHCZBNCKQGHHJV-IAMFDIQRSA-N
MW267.37 g/mol
LogP0.56
Rot. Bonds4

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

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea (PubChem CID 111630982) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea
PubChem CID111630982
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCN1CCCC(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C1
InChIInChI=1S/C14H25N3O2/c1-17-6-2-3-12(9-17)8-15-14(19)16-13-5-4-11(7-13)10-18/h4-5,11-13,18H,2-3,6-10H2,1H3,(H2,15,16,19)/t11-,12?,13+/m0/s1
InChIKeyHHCZBNCKQGHHJV-IAMFDIQRSA-N
XLogP0.56
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.56
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-[[(3S)-1-benzylpiperidin-3-yl]methyl]-3-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]urea
CID 96569241
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109490230
N-[4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide;vanadium
CID 162196806
1-cyclopentyl-3-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 110749371
(2S)-4-hydroxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]butanoic acid
CID 107827202
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
2,2-dimethyl-3-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 115428664
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
1-(azetidin-3-ylmethyl)-3-(1-methylpiperidin-3-yl)urea
CID 117234763
4-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79191805
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
3-methyl-4-[(1-methylpiperidin-3-yl)methylamino]-4-oxobutanoic acid
CID 115164613

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea (CID 111630982) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea is CN1CCCC(CNC(=O)N[C@@H]2C=C[C@H](CO)C2)C1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The InChIKey is HHCZBNCKQGHHJV-IAMFDIQRSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-17-6-2-3-12(9-17)8-15-14(19)16-13-5-4-11(7-13)10-18/h4-5,11-13,18H,2-3,6-10H2,1H3,(H2,15,16,19)/t11-,12?,13+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[(1-methylpiperidin-3-yl)methyl]urea has a molecular weight of 267.37 g/mol, XLogP of 0.56, 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-[(1-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 111630982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).