2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

C13H22N4O — CID 103814676

IUPAC2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)CN2CCC(N)CC2)c1
InChIInChI=1S/C13H22N4O/c1-16-5-2-11(9-16)8-15-13(18)10-17-6-3-12(14)4-7-17/h2,5,9,12H,3-4,6-8,10,14H2,1H3,(H,15,18)
InChIKeyOBSFJTMSOLDJEK-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.06
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide

2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (PubChem CID 103814676) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
PubChem CID103814676
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
SMILESCn1ccc(CNC(=O)CN2CCC(N)CC2)c1
InChIInChI=1S/C13H22N4O/c1-16-5-2-11(9-16)8-15-13(18)10-17-6-3-12(14)4-7-17/h2,5,9,12H,3-4,6-8,10,14H2,1H3,(H,15,18)
InChIKeyOBSFJTMSOLDJEK-UHFFFAOYSA-N
XLogP0.06
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 79328116
2-(azetidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814673
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 119933946
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 79327473
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
4-amino-N-[(1-methylpyrrol-3-yl)methyl]pentanamide
CID 106813362
2-(4-aminopiperidin-1-yl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 79328654
2-(4-aminopiperidin-1-yl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 79323412
2-(4-aminopiperidin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 79323405
2-(4-aminopiperidin-1-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 79327517
2-(4-fluorophenyl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 110782492

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide (CID 103814676) is 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is Cn1ccc(CNC(=O)CN2CCC(N)CC2)c1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
The InChIKey is OBSFJTMSOLDJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-5-2-11(9-16)8-15-13(18)10-17-6-3-12(14)4-7-17/h2,5,9,12H,3-4,6-8,10,14H2,1H3,(H,15,18).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide is sourced from PubChem (CID 103814676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).