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

C11H17N3O — CID 119376460

IUPAC(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C11H17N3O/c1-8-10(2-5-13-8)11(15)14-6-3-9(12)4-7-14/h2,5,9,13H,3-4,6-7,12H2,1H3
InChIKeyZAWQAQJQLQIOLR-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.89
Rot. Bonds1

About (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone

(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (PubChem CID 119376460) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
PubChem CID119376460
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
SMILESCc1[nH]ccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C11H17N3O/c1-8-10(2-5-13-8)11(15)14-6-3-9(12)4-7-14/h2,5,9,13H,3-4,6-7,12H2,1H3
InChIKeyZAWQAQJQLQIOLR-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-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119381286
(2-methyl-1H-pyrrol-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 126739502
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119625004
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119664331
(3-hydroxypiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 111824446
(4-aminopiperidin-1-yl)-(2-methylphenyl)methanone;hydrochloride
CID 119372796
N-(6-methyl-2-pyridinyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-4-carboxamide
CID 166226689
(4-aminopiperidin-1-yl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 62829888
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
[2-(aminomethyl)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119469360
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 110695733
(4-aminopiperidin-1-yl)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methanone
CID 119372805

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone (CID 119376460) is (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is Cc1[nH]ccc1C(=O)N1CCC(N)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
The InChIKey is ZAWQAQJQLQIOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-10(2-5-13-8)11(15)14-6-3-9(12)4-7-14/h2,5,9,13H,3-4,6-7,12H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone?
(4-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 (4-aminopiperidin-1-yl)-(2-methyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 119376460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).