(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

C17H21N3O — CID 166245161

IUPAC(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCC1CC(N)CN(C(=O)c2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C17H21N3O/c1-13-9-15(18)12-20(11-13)17(21)14-5-4-6-16(10-14)19-7-2-3-8-19/h2-8,10,13,15H,9,11-12,18H2,1H3
InChIKeyWWYYEUBPKUPYNG-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.29
Rot. Bonds2

About (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone

(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (PubChem CID 166245161) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
PubChem CID166245161
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
SMILESCC1CC(N)CN(C(=O)c2cccc(-n3cccc3)c2)C1
InChIInChI=1S/C17H21N3O/c1-13-9-15(18)12-20(11-13)17(21)14-5-4-6-16(10-14)19-7-2-3-8-19/h2-8,10,13,15H,9,11-12,18H2,1H3
InChIKeyWWYYEUBPKUPYNG-UHFFFAOYSA-N
XLogP2.29
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfonylpiperazin-1-yl)-(3-pyrrol-1-ylphenyl)methanone
CID 39346910
1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 39314575
(3-aminophenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 16795093
(3-amino-5-methylpiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107690384
1-(3-pyrrol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63031103
(3-amino-5-methylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 79993239
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 25355501
(3-amino-5-methylpiperidin-1-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 79993755
(3-amino-5-methylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 79994422
(3-amino-5-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79994551
ethyl 1-(3-pyrrol-1-ylbenzoyl)piperidine-4-carboxylate
CID 35512692
(3-amino-5-methylpiperidin-1-yl)-(1-methylpyrrol-2-yl)methanone
CID 79994014

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone (CID 166245161) is (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is CC1CC(N)CN(C(=O)c2cccc(-n3cccc3)c2)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
The InChIKey is WWYYEUBPKUPYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-9-15(18)12-20(11-13)17(21)14-5-4-6-16(10-14)19-7-2-3-8-19/h2-8,10,13,15H,9,11-12,18H2,1H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone has a molecular weight of 283.38 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(3-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 166245161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).