[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone

C19H25N3O — CID 124684688

IUPAC[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
SMILESCNC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1
InChIInChI=1S/C19H25N3O/c1-20-13-15-7-6-12-22(14-15)19(23)18-11-10-17(21(18)2)16-8-4-3-5-9-16/h3-5,8-11,15,20H,6-7,12-14H2,1-2H3/t15-/m1/s1
InChIKeyDCYLDAWIOIOURJ-OAHLLOKOSA-N
MW311.43 g/mol
LogP2.76
Rot. Bonds4

About [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone (PubChem CID 124684688) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
PubChem CID124684688
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
SMILESCNC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1
InChIInChI=1S/C19H25N3O/c1-20-13-15-7-6-12-22(14-15)19(23)18-11-10-17(21(18)2)16-8-4-3-5-9-16/h3-5,8-11,15,20H,6-7,12-14H2,1-2H3/t15-/m1/s1
InChIKeyDCYLDAWIOIOURJ-OAHLLOKOSA-N
XLogP2.76
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide
CID 131943176
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
[3-(methylaminomethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107024092
[3-(methylaminomethyl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119395429
(2-anilinophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395281
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
(4-bromo-3-phenyl-1H-pyrazol-5-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398900
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The IUPAC name of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone (CID 124684688) is [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone.
What is the SMILES notation for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The canonical SMILES for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone is CNC[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)n2C)C1.
What is the InChIKey of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
The InChIKey is DCYLDAWIOIOURJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O/c1-20-13-15-7-6-12-22(14-15)19(23)18-11-10-17(21(18)2)16-8-4-3-5-9-16/h3-5,8-11,15,20H,6-7,12-14H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone?
[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone has a molecular weight of 311.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone is sourced from PubChem (CID 124684688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).