(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone

C11H17N3O — CID 117213585

IUPAC(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
SMILESCn1ccc(C(=O)N2CCCCC2)c1N
InChIInChI=1S/C11H17N3O/c1-13-8-5-9(10(13)12)11(15)14-6-3-2-4-7-14/h5,8H,2-4,6-7,12H2,1H3
InChIKeyAWPPGYLKAUDEDG-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.23
Rot. Bonds1

About (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone

(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone (PubChem CID 117213585) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
PubChem CID117213585
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone
SMILESCn1ccc(C(=O)N2CCCCC2)c1N
InChIInChI=1S/C11H17N3O/c1-13-8-5-9(10(13)12)11(15)14-6-3-2-4-7-14/h5,8H,2-4,6-7,12H2,1H3
InChIKeyAWPPGYLKAUDEDG-UHFFFAOYSA-N
XLogP1.23
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone 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-amino-1-ethylpyrrol-3-yl)-piperidin-1-ylmethanone
CID 117213765
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
2-(piperidine-1-carbonyl)phenolate
CID 101121314
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(1,2-dimethylpyrrol-3-yl)-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)methanone
CID 118770208
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577
azepan-1-yl-(1-methylimidazol-2-yl)methanone
CID 78994199
azepan-1-yl-(2,6-dimethyl-3-pyridinyl)methanone
CID 60924601
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[2-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56884668

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone (CID 117213585) is (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone is Cn1ccc(C(=O)N2CCCCC2)c1N.
What is the InChIKey of (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is AWPPGYLKAUDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-8-5-9(10(13)12)11(15)14-6-3-2-4-7-14/h5,8H,2-4,6-7,12H2,1H3.
What are the key properties of (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone?
(2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 207.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-methylpyrrol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 117213585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).