2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide

C12H19N3O — CID 120599004

IUPAC2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C12H19N3O/c1-8-7-10(3-5-13-8)15-12(16)11-4-6-14-9(11)2/h4,6,8,10,13-14H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyCMADXHSJLOXSLW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.19
Rot. Bonds2

About 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide

2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide (PubChem CID 120599004) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
PubChem CID120599004
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide
SMILESCc1[nH]ccc1C(=O)NC1CCNC(C)C1
InChIInChI=1S/C12H19N3O/c1-8-7-10(3-5-13-8)15-12(16)11-4-6-14-9(11)2/h4,6,8,10,13-14H,3,5,7H2,1-2H3,(H,15,16)
InChIKeyCMADXHSJLOXSLW-UHFFFAOYSA-N
XLogP1.19
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 119459094
2-bromo-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995466
3-bromo-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995279
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
2-bromo-N-(2-methylpiperidin-4-yl)furan-3-carboxamide
CID 106995322
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
2-(methanesulfonamido)-5-methyl-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601210
4-acetyl-N-(2-methylpiperidin-4-yl)benzamide
CID 120601544
2-fluoro-4-(4-methylphenyl)-N-(2-methylpiperidin-4-yl)benzamide
CID 120601621
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide?
The IUPAC name of 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide (CID 120599004) is 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide is Cc1[nH]ccc1C(=O)NC1CCNC(C)C1.
What is the InChIKey of 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide?
The InChIKey is CMADXHSJLOXSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-7-10(3-5-13-8)15-12(16)11-4-6-14-9(11)2/h4,6,8,10,13-14H,3,5,7H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide?
2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 120599004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).