1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide

C21H29N3O — CID 55715573

IUPAC1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN2CCC(C)CC2)n1C
InChIInChI=1S/C21H29N3O/c1-16-10-12-24(13-11-16)15-19-7-5-4-6-18(19)14-22-21(25)20-9-8-17(2)23(20)3/h4-9,16H,10-15H2,1-3H3,(H,22,25)
InChIKeySWOYPQUALLTOKC-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.50
Rot. Bonds5

About 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide

1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide (PubChem CID 55715573) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
PubChem CID55715573
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccccc2CN2CCC(C)CC2)n1C
InChIInChI=1S/C21H29N3O/c1-16-10-12-24(13-11-16)15-19-7-5-4-6-18(19)14-22-21(25)20-9-8-17(2)23(20)3/h4-9,16H,10-15H2,1-3H3,(H,22,25)
InChIKeySWOYPQUALLTOKC-UHFFFAOYSA-N
XLogP3.50
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 46469858
2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 46477048
4-bromo-5-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55885338
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
6-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60513495
2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
1-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008847
2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 120669594
1,3-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 78875231
2-methyl-1-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110915687

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide (CID 55715573) is 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide is Cc1ccc(C(=O)NCc2ccccc2CN2CCC(C)CC2)n1C.
What is the InChIKey of 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
The InChIKey is SWOYPQUALLTOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-16-10-12-24(13-11-16)15-19-7-5-4-6-18(19)14-22-21(25)20-9-8-17(2)23(20)3/h4-9,16H,10-15H2,1-3H3,(H,22,25).
What are the key properties of 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide?
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 55715573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).