(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone

C11H17N3O — CID 119377405

IUPAC(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C11H17N3O/c1-8-5-13-6-10(8)11(15)14-4-2-3-9(12)7-14/h5-6,9,13H,2-4,7,12H2,1H3
InChIKeyVVDROJZUZXPQBH-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone

(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 119377405) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
PubChem CID119377405
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1c[nH]cc1C(=O)N1CCCC(N)C1
InChIInChI=1S/C11H17N3O/c1-8-5-13-6-10(8)11(15)14-4-2-3-9(12)7-14/h5-6,9,13H,2-4,7,12H2,1H3
InChIKeyVVDROJZUZXPQBH-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

[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242
(3-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
[(3R)-3-aminopiperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 102978340
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
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
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(3-aminopiperidin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone;hydrochloride
CID 119378378
3-[(3R)-3-aminopiperidine-1-carbonyl]-1-methylpyridin-2-one
CID 129493140
(3-aminopiperidin-1-yl)-(1-methylindol-7-yl)methanone
CID 112531045
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone (CID 119377405) is (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone is Cc1c[nH]cc1C(=O)N1CCCC(N)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is VVDROJZUZXPQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-5-13-6-10(8)11(15)14-4-2-3-9(12)7-14/h5-6,9,13H,2-4,7,12H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone?
(3-aminopiperidin-1-yl)-(4-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)-(4-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 119377405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).