(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide

C18H30N6O3 — CID 59884892

IUPAC(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
SMILESO=C(NCC(O)Cn1ccnc1)[C@H]1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C18H30N6O3/c25-15(12-23-8-6-20-13-23)10-21-17(26)16-11-19-7-9-24(16)18(27)22-14-4-2-1-3-5-14/h6,8,13-16,19,25H,1-5,7,9-12H2,(H,21,26)(H,22,27)/t15?,16-/m1/s1
InChIKeyJFGWUJKJNGBNLP-OEMAIJDKSA-N
MW378.48 g/mol
LogP-0.32
Rot. Bonds6

About (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide

(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide (PubChem CID 59884892) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
PubChem CID59884892
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide
SMILESO=C(NCC(O)Cn1ccnc1)[C@H]1CNCCN1C(=O)NC1CCCCC1
InChIInChI=1S/C18H30N6O3/c25-15(12-23-8-6-20-13-23)10-21-17(26)16-11-19-7-9-24(16)18(27)22-14-4-2-1-3-5-14/h6,8,13-16,19,25H,1-5,7,9-12H2,(H,21,26)(H,22,27)/t15?,16-/m1/s1
InChIKeyJFGWUJKJNGBNLP-OEMAIJDKSA-N
XLogP-0.32
TPSA111.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide with MolForge

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Related Compounds

N1-(3-(1H-imidazol-1-yl)propyl)-N2-cyclohexyloxalamide
CID 3122124
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CID 44054736
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
N-cyclohexyl-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53571950
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197323
1-[2-(Hydroxymethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 4876348
1-(4-Aminopiperidin-1-yl)-3-(1h-imidazol-1-yl)propan-1-one
CID 43556194
1-(2-Hydroxypropyl)-3-(3-imidazol-1-ylpropyl)-1-propan-2-ylurea
CID 72100950
N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
CID 91796843
N~1~-cyclooctyl-N~2~-(2-hydroxyethyl)-N~2~-[(1-methyl-1H-imidazol-2-yl)methyl]glycinamide
CID 91831986
N-(4-hydroxy-5-methylhexan-3-yl)-2-imidazol-1-yl-4-methylpentanamide
CID 126839998
(2R)-1-N-cyclohexyl-2-N-(3-imidazol-1-ylpropyl)-4-(2,2,2-trifluoroacetyl)piperazine-1,2-dicarboxamide
CID 59110144

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
The IUPAC name of (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide (CID 59884892) is (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
The canonical SMILES for (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide is O=C(NCC(O)Cn1ccnc1)[C@H]1CNCCN1C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
The InChIKey is JFGWUJKJNGBNLP-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H30N6O3/c25-15(12-23-8-6-20-13-23)10-21-17(26)16-11-19-7-9-24(16)18(27)22-14-4-2-1-3-5-14/h6,8,13-16,19,25H,1-5,7,9-12H2,(H,21,26)(H,22,27)/t15?,16-/m1/s1.
What are the key properties of (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide?
(2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide has a molecular weight of 378.48 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N-cyclohexyl-2-N-(2-hydroxy-3-imidazol-1-ylpropyl)piperazine-1,2-dicarboxamide is sourced from PubChem (CID 59884892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).