cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

C20H25N3O2 — CID 95767235

IUPACcis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H25N3O2/c24-19(22-18-9-5-8-17-16(18)10-11-21-17)14-6-1-2-7-15(14)20(25)23-12-3-4-13-23/h5,8-11,14-15,21H,1-4,6-7,12-13H2,(H,22,24)/t14-,15+/m0/s1
InChIKeySMNPQHQHNHJILI-LSDHHAIUSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds3

About cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide

cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 95767235) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID95767235
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namecis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1cccc2[nH]ccc12)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C20H25N3O2/c24-19(22-18-9-5-8-17-16(18)10-11-21-17)14-6-1-2-7-15(14)20(25)23-12-3-4-13-23/h5,8-11,14-15,21H,1-4,6-7,12-13H2,(H,22,24)/t14-,15+/m0/s1
InChIKeySMNPQHQHNHJILI-LSDHHAIUSA-N
XLogP3.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-indol-4-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 45493554
cis-(1S,2R)-N-(1H-indazol-7-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 95979860
1-cyclohexyl-3-(1H-indol-4-yl)urea
CID 110748828
1-(4-chlorophenyl)sulfonyl-N-(1H-indol-4-yl)piperidine-4-carboxamide
CID 71704081
N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
CID 99789613
3-amino-N-(1H-indol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 119706205
N-(1H-indol-4-yl)-3-methylpiperazine-1-carboxamide
CID 121452523
1-(1H-indol-4-ylcarbamoyl)-5-methylpiperidine-3-carboxylic acid
CID 122102272
N-(1H-indol-4-yl)-2,2-dimethylpropanamide
CID 110730904
azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
2-[3-[[2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]amino]phenyl]acetic acid
CID 119351907

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide (CID 95767235) is cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is O=C(Nc1cccc2[nH]ccc12)[C@H]1CCCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is SMNPQHQHNHJILI-LSDHHAIUSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-19(22-18-9-5-8-17-16(18)10-11-21-17)14-6-1-2-7-15(14)20(25)23-12-3-4-13-23/h5,8-11,14-15,21H,1-4,6-7,12-13H2,(H,22,24)/t14-,15+/m0/s1.
What are the key properties of cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide?
cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-(1H-indol-4-yl)-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 95767235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).