2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide

C13H22N4O — CID 62132229

IUPAC2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESCn1cccc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H22N4O/c1-16-6-2-3-12(16)9-15-11-4-7-17(8-5-11)10-13(14)18/h2-3,6,11,15H,4-5,7-10H2,1H3,(H2,14,18)
InChIKeyRLLHHJMPIKJYCD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.06
Rot. Bonds5

About 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide

2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide (PubChem CID 62132229) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
PubChem CID62132229
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
SMILESCn1cccc1CNC1CCN(CC(N)=O)CC1
InChIInChI=1S/C13H22N4O/c1-16-6-2-3-12(16)9-15-11-4-7-17(8-5-11)10-13(14)18/h2-3,6,11,15H,4-5,7-10H2,1H3,(H2,14,18)
InChIKeyRLLHHJMPIKJYCD-UHFFFAOYSA-N
XLogP0.06
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411363
1-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]piperidin-4-amine
CID 62132410
2-[4-[(2-ethylpyrazol-3-yl)methylamino]piperidin-1-yl]acetamide
CID 115761657
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
CID 66416889
2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
2-[4-(1,3-thiazol-5-ylmethylamino)piperidin-1-yl]acetamide
CID 62759264
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66387166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide (CID 62132229) is 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide is Cn1cccc1CNC1CCN(CC(N)=O)CC1.
What is the InChIKey of 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is RLLHHJMPIKJYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-6-2-3-12(16)9-15-11-4-7-17(8-5-11)10-13(14)18/h2-3,6,11,15H,4-5,7-10H2,1H3,(H2,14,18).
What are the key properties of 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 250.35 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 62132229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).