[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea

C16H24N4O3 — CID 155902271

IUPAC[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea
SMILESNC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O
InChIInChI=1S/C16H24N4O3/c17-16(23)18-12-10-13(21)14(15(12)22)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,12-15,21-22H,6-10H2,(H3,17,18,23)/t12-,13+,14-,15-/m1/s1
InChIKeyAQWAMMRDWAIEJU-LXTVHRRPSA-N
MW320.39 g/mol
LogP-0.66
Rot. Bonds3

About [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea

[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea (PubChem CID 155902271) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea.

Molecular Properties

Compound Name[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea
PubChem CID155902271
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea
SMILESNC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O
InChIInChI=1S/C16H24N4O3/c17-16(23)18-12-10-13(21)14(15(12)22)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,12-15,21-22H,6-10H2,(H3,17,18,23)/t12-,13+,14-,15-/m1/s1
InChIKeyAQWAMMRDWAIEJU-LXTVHRRPSA-N
XLogP-0.66
TPSA102.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea with MolForge

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Related Compounds

2-amino-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-3-hydroxy-2-(4-phenylpiperazin-1-yl)cyclopentyl]acetamide
CID 110158548
1-(2-adamantyl)-4-phenylpiperazine
CID 1378368
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-[[4-hydroxy-5-(hydroxymethyl)-3-(4-phenylpiperazin-1-yl)oxolan-2-yl]methyl]benzamide
CID 74577786
carbamic acid;1-phenylpiperidine
CID 161473217
2-amino-4-(4-phenylpiperazin-1-yl)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 74419572
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
(2R)-2-amino-3-(4-phenylpiperazin-1-yl)propanoic acid
CID 177277413
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
CID 95725452
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea?
The IUPAC name of [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea (CID 155902271) is [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea.
What is the SMILES notation for [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea?
The canonical SMILES for [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea is NC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1O.
What is the InChIKey of [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea?
The InChIKey is AQWAMMRDWAIEJU-LXTVHRRPSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-16(23)18-12-10-13(21)14(15(12)22)20-8-6-19(7-9-20)11-4-2-1-3-5-11/h1-5,12-15,21-22H,6-10H2,(H3,17,18,23)/t12-,13+,14-,15-/m1/s1.
What are the key properties of [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea?
[(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea has a molecular weight of 320.39 g/mol, XLogP of -0.66, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4S)-2,4-dihydroxy-3-(4-phenylpiperazin-1-yl)cyclopentyl]urea is sourced from PubChem (CID 155902271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).