(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone

C13H21N3O2 — CID 114610014

IUPAC(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C13H21N3O2/c1-18-10-9-15-6-2-3-12(15)13(17)16-7-4-11(14)5-8-16/h2-3,6,11H,4-5,7-10,14H2,1H3
InChIKeyPBLFNCNQOLAYHY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.70
Rot. Bonds4

About (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (PubChem CID 114610014) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
PubChem CID114610014
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCC(N)CC1
InChIInChI=1S/C13H21N3O2/c1-18-10-9-15-6-2-3-12(15)13(17)16-7-4-11(14)5-8-16/h2-3,6,11H,4-5,7-10,14H2,1H3
InChIKeyPBLFNCNQOLAYHY-UHFFFAOYSA-N
XLogP0.70
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610606
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610444
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610479
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
CID 114609871
(4-aminopiperidin-1-yl)-[1-(thiophen-2-ylmethyl)pyrrol-2-yl]methanone;hydrochloride
CID 119376847
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775450
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
2-[1-(1-propylpyrrole-2-carbonyl)piperidin-4-yl]acetic acid
CID 79615657
(1-ethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43638941

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (CID 114610014) is (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is COCCn1cccc1C(=O)N1CCC(N)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The InChIKey is PBLFNCNQOLAYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-18-10-9-15-6-2-3-12(15)13(17)16-7-4-11(14)5-8-16/h2-3,6,11H,4-5,7-10,14H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).