(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone

C13H21N3O — CID 119491533

IUPAC(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2[nH]c(C)cc2C)C1
InChIInChI=1S/C13H21N3O/c1-9-7-10(2)15-12(9)13(17)16-6-4-5-11(8-16)14-3/h7,11,14-15H,4-6,8H2,1-3H3
InChIKeyXTZVWFGYBHGYLT-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.46
Rot. Bonds2

About (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone

(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 119491533) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID119491533
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)c2[nH]c(C)cc2C)C1
InChIInChI=1S/C13H21N3O/c1-9-7-10(2)15-12(9)13(17)16-6-4-5-11(8-16)14-3/h7,11,14-15H,4-6,8H2,1-3H3
InChIKeyXTZVWFGYBHGYLT-UHFFFAOYSA-N
XLogP1.46
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 154750729
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 53067329
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)azepan-4-yl]acetic acid
CID 120950036
ethyl 4-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]piperazine-1-carboxylate
CID 45206671
[(3S)-3-(methylamino)piperidin-1-yl]-(3-methylphenyl)methanone
CID 94475796
(2,4-dimethylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535810
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727
(5-ethyl-1H-pyrazol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492861
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone (CID 119491533) is (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)c2[nH]c(C)cc2C)C1.
What is the InChIKey of (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is XTZVWFGYBHGYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-10(2)15-12(9)13(17)16-6-4-5-11(8-16)14-3/h7,11,14-15H,4-6,8H2,1-3H3.
What are the key properties of (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone?
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 235.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119491533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).