N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

C22H31N3O2 — CID 97454121

IUPACN-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc[nH]1
InChIInChI=1S/C22H31N3O2/c1-3-25(22(26)21-10-5-12-23-21)17-19-8-6-13-24(16-19)14-11-18-7-4-9-20(15-18)27-2/h4-5,7,9-10,12,15,19,23H,3,6,8,11,13-14,16-17H2,1-2H3/t19-/m1/s1
InChIKeyJKYFXTZMHAFXEF-LJQANCHMSA-N
MW369.51 g/mol
LogP3.44
Rot. Bonds8

About N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide

N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 97454121) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID97454121
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide
SMILESCCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc[nH]1
InChIInChI=1S/C22H31N3O2/c1-3-25(22(26)21-10-5-12-23-21)17-19-8-6-13-24(16-19)14-11-18-7-4-9-20(15-18)27-2/h4-5,7,9-10,12,15,19,23H,3,6,8,11,13-14,16-17H2,1-2H3/t19-/m1/s1
InChIKeyJKYFXTZMHAFXEF-LJQANCHMSA-N
XLogP3.44
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 140931186
2-(dimethylamino)-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45229441
N-ethyl-2-methoxy-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]acetamide
CID 45218660
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42401892
N-ethyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylsulfanylacetamide
CID 42401697
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1,3-oxazole-5-carboxamide
CID 72876962
4-ethenyl-N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 45199416
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-2-methylpyrimidine-5-carboxamide
CID 72889277
4-chloro-N-ethyl-2-fluoro-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 42415674
methyl 4-[ethyl-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]amino]-4-oxobutanoate
CID 42509025
N-ethyl-3-ethynyl-N-[[(3S)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]benzamide
CID 25456627
N-ethyl-N-[[1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 45234537

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide (CID 97454121) is N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is CCN(C[C@@H]1CCCN(CCc2cccc(OC)c2)C1)C(=O)c1ccc[nH]1.
What is the InChIKey of N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is JKYFXTZMHAFXEF-LJQANCHMSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-25(22(26)21-10-5-12-23-21)17-19-8-6-13-24(16-19)14-11-18-7-4-9-20(15-18)27-2/h4-5,7,9-10,12,15,19,23H,3,6,8,11,13-14,16-17H2,1-2H3/t19-/m1/s1.
What are the key properties of N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide?
N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3R)-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 97454121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).