[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone

C15H25N3O2 — CID 114610328

IUPAC[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCCCC1CCN
InChIInChI=1S/C15H25N3O2/c1-20-12-11-17-9-4-6-14(17)15(19)18-10-3-2-5-13(18)7-8-16/h4,6,9,13H,2-3,5,7-8,10-12,16H2,1H3
InChIKeyKDOMHVJDUHECJB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.48
Rot. Bonds6

About [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone

[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (PubChem CID 114610328) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.

Molecular Properties

Compound Name[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
PubChem CID114610328
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
SMILESCOCCn1cccc1C(=O)N1CCCCC1CCN
InChIInChI=1S/C15H25N3O2/c1-20-12-11-17-9-4-6-14(17)15(19)18-10-3-2-5-13(18)7-8-16/h4,6,9,13H,2-3,5,7-8,10-12,16H2,1H3
InChIKeyKDOMHVJDUHECJB-UHFFFAOYSA-N
XLogP1.48
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610326
1-[1-(2-methoxyethyl)pyrrole-2-carbonyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775450
(4-amino-2-methylpiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610606
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)pyrrol-2-yl]methanone
CID 114610014
1-[2-(2-aminoethyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 63755020
[2-(2-aminoethyl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 63755191
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]ethyl 2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetate
CID 56528580
[2-(2-aminoethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 82507381
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
6-[2-(methoxymethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 154764419
[2-(2-aminoethyl)piperidin-1-yl]-(3-chloro-2-methylphenyl)methanone
CID 107098180
6-[2-(2-aminoethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 113322539

Frequently Asked Questions

What is the IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The IUPAC name of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone (CID 114610328) is [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone.
What is the SMILES notation for [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The canonical SMILES for [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is COCCn1cccc1C(=O)N1CCCCC1CCN.
What is the InChIKey of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
The InChIKey is KDOMHVJDUHECJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-20-12-11-17-9-4-6-14(17)15(19)18-10-3-2-5-13(18)7-8-16/h4,6,9,13H,2-3,5,7-8,10-12,16H2,1H3.
What are the key properties of [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone?
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone has a molecular weight of 279.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-aminoethyl)piperidin-1-yl]-[1-(2-methoxyethyl)pyrrol-2-yl]methanone is sourced from PubChem (CID 114610328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).