5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

C21H29N3O3 — CID 129006816

IUPAC5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2Cc2ccc(OC)c(OC)c2)n1C
InChIInChI=1S/C21H29N3O3/c1-22-21(25)18-10-9-16(23(18)2)17-7-5-6-12-24(17)14-15-8-11-19(26-3)20(13-15)27-4/h8-11,13,17H,5-7,12,14H2,1-4H3,(H,22,25)
InChIKeyAJXLQOHATRZSFD-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.13
Rot. Bonds6

About 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide

5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 129006816) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
PubChem CID129006816
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
SMILESCNC(=O)c1ccc(C2CCCCN2Cc2ccc(OC)c(OC)c2)n1C
InChIInChI=1S/C21H29N3O3/c1-22-21(25)18-10-9-16(23(18)2)17-7-5-6-12-24(17)14-15-8-11-19(26-3)20(13-15)27-4/h8-11,13,17H,5-7,12,14H2,1-4H3,(H,22,25)
InChIKeyAJXLQOHATRZSFD-UHFFFAOYSA-N
XLogP3.13
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[(6-methoxy-3-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007668
N,1-dimethyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129337137
5-[(2S)-1-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129334635
5-[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007661
5-[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342544
5-[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129002276
5-[(2S)-1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129337148
5-[(2S)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129342543
5-[(2R)-1-[(5-cyano-2-fluorophenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343897
5-[1-[(5-cyanofuran-2-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007322
5-[(2R)-1-[3-(methanesulfonamido)propyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129343540
5-[1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide
CID 129007648

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide (CID 129006816) is 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is CNC(=O)c1ccc(C2CCCCN2Cc2ccc(OC)c(OC)c2)n1C.
What is the InChIKey of 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is AJXLQOHATRZSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-22-21(25)18-10-9-16(23(18)2)17-7-5-6-12-24(17)14-15-8-11-19(26-3)20(13-15)27-4/h8-11,13,17H,5-7,12,14H2,1-4H3,(H,22,25).
What are the key properties of 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide?
5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-2-yl]-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 129006816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).