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

C14H23N3O2 — CID 114610606

IUPAC(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCC(N)CC1C
InChIInChI=1S/C14H23N3O2/c1-11-10-12(15)5-7-17(11)14(18)13-4-3-6-16(13)8-9-19-2/h3-4,6,11-12H,5,7-10,15H2,1-2H3
InChIKeyUJOQHHBWXAIWHE-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.09
Rot. Bonds4

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

(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (PubChem CID 114610606) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
PubChem CID114610606
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCC(N)CC1C
InChIInChI=1S/C14H23N3O2/c1-11-10-12(15)5-7-17(11)14(18)13-4-3-6-16(13)8-9-19-2/h3-4,6,11-12H,5,7-10,15H2,1-2H3
InChIKeyUJOQHHBWXAIWHE-UHFFFAOYSA-N
XLogP1.09
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775450
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610328
N-(4-aminocyclohexyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114610479
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
[4-(azetidin-3-yl)piperazin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610444
[(3S)-3-aminopyrrolidin-1-yl]-(1-propylpyrrol-2-yl)methanone
CID 94339941
4-[1-(2-methoxyethyl)pyrrole-2-carbonyl]piperazin-2-one
CID 114609871
[2-(hydroxymethyl)morpholin-4-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114609732
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
(3-amino-5-methylpiperidin-1-yl)-(1-propylpyrrol-2-yl)methanone
CID 79994432
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (CID 114610606) is (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is COCCn1cccc1C(=O)N1CCC(N)CC1C.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The InChIKey is UJOQHHBWXAIWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-10-12(15)5-7-17(11)14(18)13-4-3-6-16(13)8-9-19-2/h3-4,6,11-12H,5,7-10,15H2,1-2H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).