[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone

C15H23N3O — CID 114610133

IUPAC[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
SMILESNCC1CCCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H23N3O/c16-11-13-5-1-2-9-18(13)15(19)14-8-4-10-17(14)12-6-3-7-12/h4,8,10,12-13H,1-3,5-7,9,11,16H2
InChIKeyQJISDEMMEXQEME-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.17
Rot. Bonds3

About [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone

[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone (PubChem CID 114610133) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
PubChem CID114610133
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
SMILESNCC1CCCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H23N3O/c16-11-13-5-1-2-9-18(13)15(19)14-8-4-10-17(14)12-6-3-7-12/h4,8,10,12-13H,1-3,5-7,9,11,16H2
InChIKeyQJISDEMMEXQEME-UHFFFAOYSA-N
XLogP2.17
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 125134550
[2-(aminomethyl)piperidin-1-yl]-(4-aminophenyl)methanone
CID 122080310
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
[2-(aminomethyl)piperidin-1-yl]-(2-methylphenyl)methanone;hydrochloride
CID 119466148
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 114610715
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-phenylmethanone
CID 28706917
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(2-aminoethyl)piperidin-1-yl]-[1-(2,2-difluoroethyl)pyrrol-2-yl]methanone
CID 114610326
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
2-[1-(1-methylpyrrole-2-carbonyl)piperidin-2-yl]acetic acid
CID 54899755

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone (CID 114610133) is [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone is NCC1CCCCN1C(=O)c1cccn1C1CCC1.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone?
The InChIKey is QJISDEMMEXQEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-11-13-5-1-2-9-18(13)15(19)14-8-4-10-17(14)12-6-3-7-12/h4,8,10,12-13H,1-3,5-7,9,11,16H2.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone?
[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone has a molecular weight of 261.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone is sourced from PubChem (CID 114610133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).