N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide

C16H22N4O — CID 103814714

IUPACN-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cccn2C2CCNCC2)c1
InChIInChI=1S/C16H22N4O/c1-19-10-6-13(12-19)11-18-16(21)15-3-2-9-20(15)14-4-7-17-8-5-14/h2-3,6,9-10,12,14,17H,4-5,7-8,11H2,1H3,(H,18,21)
InChIKeyDZXPLIIDHCAHOD-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.68
Rot. Bonds4

About N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide

N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide (PubChem CID 103814714) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
PubChem CID103814714
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
SMILESCn1ccc(CNC(=O)c2cccn2C2CCNCC2)c1
InChIInChI=1S/C16H22N4O/c1-19-10-6-13(12-19)11-18-16(21)15-3-2-9-20(15)14-4-7-17-8-5-14/h2-3,6,9-10,12,14,17H,4-5,7-8,11H2,1H3,(H,18,21)
InChIKeyDZXPLIIDHCAHOD-UHFFFAOYSA-N
XLogP1.68
TPSA50.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 81494193
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089
N-[(1-methylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 82494322
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
N-(2-ethylsulfonylethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103810373
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
N-(2-methyl-2-methylsulfanylpropyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739845
1-piperidin-4-yl-N-(2-pyrazol-1-ylethyl)pyrrole-2-carboxamide
CID 62716104
N-(oxolan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716770
N-(1-hydroxy-2-methylpropan-2-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62715225
N-(3-methylpentan-3-yl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 106328568

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The IUPAC name of N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide (CID 103814714) is N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The canonical SMILES for N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide is Cn1ccc(CNC(=O)c2cccn2C2CCNCC2)c1.
What is the InChIKey of N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
The InChIKey is DZXPLIIDHCAHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-10-6-13(12-19)11-18-16(21)15-3-2-9-20(15)14-4-7-17-8-5-14/h2-3,6,9-10,12,14,17H,4-5,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide?
N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-3-yl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide is sourced from PubChem (CID 103814714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).