cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide

C13H21N3O2 — CID 133267504

IUPACcis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C13H21N3O2/c17-11-4-1-3-10(9-11)13(18)16-6-2-5-12-14-7-8-15-12/h7-8,10-11,17H,1-6,9H2,(H,14,15)(H,16,18)/t10-,11+/m1/s1
InChIKeyYBZRXSLXSAQCKS-MNOVXSKESA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds5

About cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide

cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 133267504) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
PubChem CID133267504
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namecis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide
SMILESO=C(NCCCc1ncc[nH]1)[C@@H]1CCC[C@H](O)C1
InChIInChI=1S/C13H21N3O2/c17-11-4-1-3-10(9-11)13(18)16-6-2-5-12-14-7-8-15-12/h7-8,10-11,17H,1-6,9H2,(H,14,15)(H,16,18)/t10-,11+/m1/s1
InChIKeyYBZRXSLXSAQCKS-MNOVXSKESA-N
XLogP1.01
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

trans-3-hydroxy-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91790135
trans-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexanecarboxamide
CID 91770212
cis-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-4-hydroxycyclohexanecarboxamide
CID 91777093
cis-N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-3-hydroxycyclohexanecarboxamide
CID 91783565
cis-3-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91788745
cis-4-hydroxy-N-[(1-propyl-1H-imidazol-2-yl)methyl]cyclohexanecarboxamide
CID 91790764
Menthol-1-carbonylimidazole
CID 163359842
N-[(2R)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395358
N-[(2S)-3-cyclohexyl-2-hydroxypropyl]-N-(1H-imidazol-5-yl)cyclopropanecarboxamide
CID 18395359
actinium;N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
CID 20577869
N-[3-hydroxy-5-(1H-imidazol-2-yl)hexan-2-yl]acetamide
CID 20577870
N-(1H-imidazol-2-ylmethyl)cyclohexanecarboxamide
CID 64177000

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide (CID 133267504) is cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide is O=C(NCCCc1ncc[nH]1)[C@@H]1CCC[C@H](O)C1.
What is the InChIKey of cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is YBZRXSLXSAQCKS-MNOVXSKESA-N. The full InChI is InChI=1S/C13H21N3O2/c17-11-4-1-3-10(9-11)13(18)16-6-2-5-12-14-7-8-15-12/h7-8,10-11,17H,1-6,9H2,(H,14,15)(H,16,18)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide?
cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-hydroxy-N-[3-(1H-imidazol-2-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 133267504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).