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

C17H24N4O2 — CID 111630604

IUPAC1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C17H24N4O2/c22-12-13-4-5-15(11-13)20-17(23)19-14-6-9-21(10-7-14)16-3-1-2-8-18-16/h1-5,8,13-15,22H,6-7,9-12H2,(H2,19,20,23)/t13-,15+/m0/s1
InChIKeyVVGYLVDJMDNKFA-DZGCQCFKSA-N
MW316.40 g/mol
LogP1.29
Rot. Bonds4

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

1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 111630604) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID111630604
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C17H24N4O2/c22-12-13-4-5-15(11-13)20-17(23)19-14-6-9-21(10-7-14)16-3-1-2-8-18-16/h1-5,8,13-15,22H,6-7,9-12H2,(H2,19,20,23)/t13-,15+/m0/s1
InChIKeyVVGYLVDJMDNKFA-DZGCQCFKSA-N
XLogP1.29
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111504795
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111696767
2-amino-N-(1-pyridin-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide
CID 64823326
1-(3-hydroxybutyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111337198
2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]propyl]acetamide
CID 143220536
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 111630604) is 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is O=C(NC1CCN(c2ccccn2)CC1)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is VVGYLVDJMDNKFA-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-12-13-4-5-15(11-13)20-17(23)19-14-6-9-21(10-7-14)16-3-1-2-8-18-16/h1-5,8,13-15,22H,6-7,9-12H2,(H2,19,20,23)/t13-,15+/m0/s1.
What are the key properties of 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 316.40 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 111630604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).