(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

C11H17N3O — CID 119381286

IUPAC(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C11H17N3O/c1-8-10(4-5-13-8)11(15)14-6-2-3-9(12)7-14/h4-5,9,13H,2-3,6-7,12H2,1H3
InChIKeySDQFZFIILUQLKR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 119381286) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID119381286
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C11H17N3O/c1-8-10(4-5-13-8)11(15)14-6-2-3-9(12)7-14/h4-5,9,13H,2-3,6-7,12H2,1H3
InChIKeySDQFZFIILUQLKR-UHFFFAOYSA-N
XLogP0.89
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 111824446
(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119376460
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
3-(3-aminopiperidine-1-carbonyl)-6-methyl-1H-pyridin-2-one;hydrochloride
CID 119381683
(3-aminopiperidin-1-yl)-(2-methyl-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119379154
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 126739502
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
CID 119377765
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (CID 119381286) is (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is Cc1[nH]ccc1C(=O)N1CCCC(N)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is SDQFZFIILUQLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(4-5-13-8)11(15)14-6-2-3-9(12)7-14/h4-5,9,13H,2-3,6-7,12H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 119381286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).