N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide

C18H30N4O — CID 95211408

IUPACN-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESCCn1ccnc1CN1CC[C@H](CNC(=O)C2CCCCC2)C1
InChIInChI=1S/C18H30N4O/c1-2-22-11-9-19-17(22)14-21-10-8-15(13-21)12-20-18(23)16-6-4-3-5-7-16/h9,11,15-16H,2-8,10,12-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyPVHHYCOUFKNEBR-OAHLLOKOSA-N
MW318.46 g/mol
LogP2.42
Rot. Bonds6

About N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide

N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide (PubChem CID 95211408) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
PubChem CID95211408
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
SMILESCCn1ccnc1CN1CC[C@H](CNC(=O)C2CCCCC2)C1
InChIInChI=1S/C18H30N4O/c1-2-22-11-9-19-17(22)14-21-10-8-15(13-21)12-20-18(23)16-6-4-3-5-7-16/h9,11,15-16H,2-8,10,12-14H2,1H3,(H,20,23)/t15-/m1/s1
InChIKeyPVHHYCOUFKNEBR-OAHLLOKOSA-N
XLogP2.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide with MolForge

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Related Compounds

N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56715514
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
N-[[(3S)-1-[(2-aminopyrimidin-5-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95196955
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
(3S)-1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 96574704
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
N-[[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56749033
(3R)-N-methyl-1-[(1-propylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 99932022
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide (CID 95211408) is N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide is CCn1ccnc1CN1CC[C@H](CNC(=O)C2CCCCC2)C1.
What is the InChIKey of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
The InChIKey is PVHHYCOUFKNEBR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-2-22-11-9-19-17(22)14-21-10-8-15(13-21)12-20-18(23)16-6-4-3-5-7-16/h9,11,15-16H,2-8,10,12-14H2,1H3,(H,20,23)/t15-/m1/s1.
What are the key properties of N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide?
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 95211408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).