N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide

C23H41N3O2 — CID 26410489

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
SMILESCCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1=CCCCC1
InChIInChI=1S/C23H41N3O2/c1-3-25-13-7-10-22(25)19-26(23(27)21-8-5-4-6-9-21)18-20-11-14-24(15-12-20)16-17-28-2/h8,20,22H,3-7,9-19H2,1-2H3/t22-/m1/s1
InChIKeyOGCKQGXULIGXDJ-JOCHJYFZSA-N
MW391.60 g/mol
LogP3.16
Rot. Bonds9

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide (PubChem CID 26410489) has the molecular formula C23H41N3O2 and a molecular weight of 391.60 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
PubChem CID26410489
Molecular FormulaC23H41N3O2
Molecular Weight391.60 g/mol
Exact Mass391.32
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide
SMILESCCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1=CCCCC1
InChIInChI=1S/C23H41N3O2/c1-3-25-13-7-10-22(25)19-26(23(27)21-8-5-4-6-9-21)18-20-11-14-24(15-12-20)16-17-28-2/h8,20,22H,3-7,9-19H2,1-2H3/t22-/m1/s1
InChIKeyOGCKQGXULIGXDJ-JOCHJYFZSA-N
XLogP3.16
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.60
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide (CID 26410489) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide is CCN1CCC[C@@H]1CN(CC1CCN(CCOC)CC1)C(=O)C1=CCCCC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
The InChIKey is OGCKQGXULIGXDJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H41N3O2/c1-3-25-13-7-10-22(25)19-26(23(27)21-8-5-4-6-9-21)18-20-11-14-24(15-12-20)16-17-28-2/h8,20,22H,3-7,9-19H2,1-2H3/t22-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide has a molecular weight of 391.60 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]cyclohexene-1-carboxamide is sourced from PubChem (CID 26410489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).