(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C17H30ClN3O — CID 119395956

IUPAC(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1.Cl
InChIInChI=1S/C17H29N3O.ClH/c1-12(2)20-13(3)9-16(14(20)4)17(21)19-8-6-7-15(11-19)10-18-5;/h9,12,15,18H,6-8,10-11H2,1-5H3;1H
InChIKeyWJLYEPDXBCEJQN-UHFFFAOYSA-N
MW327.90 g/mol
LogP3.18
Rot. Bonds4

About (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119395956) has the molecular formula C17H30ClN3O and a molecular weight of 327.90 g/mol. Its IUPAC name is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119395956
Molecular FormulaC17H30ClN3O
Molecular Weight327.90 g/mol
Exact Mass327.21
IUPAC Name(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1.Cl
InChIInChI=1S/C17H29N3O.ClH/c1-12(2)20-13(3)9-16(14(20)4)17(21)19-8-6-7-15(11-19)10-18-5;/h9,12,15,18H,6-8,10-11H2,1-5H3;1H
InChIKeyWJLYEPDXBCEJQN-UHFFFAOYSA-N
XLogP3.18
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539527
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119489255
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110698941
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649594
[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397492
(2-fluoro-4-methylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397919
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612764
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612763
[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541142
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
(3R)-1-(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124682210

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119395956) is (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)c2cc(C)n(C(C)C)c2C)C1.Cl.
What is the InChIKey of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WJLYEPDXBCEJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O.ClH/c1-12(2)20-13(3)9-16(14(20)4)17(21)19-8-6-7-15(11-19)10-18-5;/h9,12,15,18H,6-8,10-11H2,1-5H3;1H.
What are the key properties of (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119395956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).