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

C11H16ClN3O — CID 106995370

IUPAC4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)c[nH]2)CCN1
InChIInChI=1S/C11H16ClN3O/c1-7-4-9(2-3-13-7)15-11(16)10-5-8(12)6-14-10/h5-7,9,13-14H,2-4H2,1H3,(H,15,16)
InChIKeyXGUFXUQIYKWLGE-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.54
Rot. Bonds2

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

4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 106995370) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID106995370
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cl)c[nH]2)CCN1
InChIInChI=1S/C11H16ClN3O/c1-7-4-9(2-3-13-7)15-11(16)10-5-8(12)6-14-10/h5-7,9,13-14H,2-4H2,1H3,(H,15,16)
InChIKeyXGUFXUQIYKWLGE-UHFFFAOYSA-N
XLogP1.54
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-iodo-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
CID 120597856
N-(2-methylpiperidin-4-yl)-4-nitro-1H-pyrrole-2-carboxamide;hydrochloride
CID 120598419
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
5-chloro-2-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995605
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119455226
(2S,4S)-4-[(4-chloro-1H-pyrrole-2-carbonyl)amino]pyrrolidine-2-carboxylic acid
CID 119064986
3-chloro-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120602026
4-chloro-3-fluoro-N-(2-methylpiperidin-4-yl)benzamide
CID 107990993
N-(2-methylpiperidin-4-yl)-1-oxo-2H-isoquinoline-3-carboxamide;hydrochloride
CID 120598863
2-chloro-N-(2-methylpiperidin-4-yl)-5-methylsulfanylbenzamide
CID 106995122
N-(2-methylpiperidin-4-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 120599049
N-(2-methylpiperidin-4-yl)-5-phenyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 120600855

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 106995370) is 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is CC1CC(NC(=O)c2cc(Cl)c[nH]2)CCN1.
What is the InChIKey of 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is XGUFXUQIYKWLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-9(2-3-13-7)15-11(16)10-5-8(12)6-14-10/h5-7,9,13-14H,2-4H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 241.72 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 106995370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).