[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C13H21N3O — CID 63250656

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCNCC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C13H21N3O/c1-14-10-11-5-8-16(9-6-11)13(17)12-4-3-7-15(12)2/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyZASXMCOBRPLJGE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.10
Rot. Bonds3

About [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 63250656) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID63250656
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCNCC1CCN(C(=O)c2cccn2C)CC1
InChIInChI=1S/C13H21N3O/c1-14-10-11-5-8-16(9-6-11)13(17)12-4-3-7-15(12)2/h3-4,7,11,14H,5-6,8-10H2,1-2H3
InChIKeyZASXMCOBRPLJGE-UHFFFAOYSA-N
XLogP1.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(fluoromethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 126791630
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
[1-(2,2-difluoroethyl)pyrrol-2-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 114610241
N-[[1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210419
[4-(ethylaminomethyl)piperidin-1-yl]-(1-ethylpyrrol-2-yl)methanone
CID 80552636
[(4S)-4-[[5-(methylamino)pyrazin-2-yl]methyl]azepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 124952207
(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(1-methylpyrrol-2-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 110467043
(1-cyclopentylpyrrol-2-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 138004302
2-[[1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813515
(4-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119542556

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 63250656) is [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is CNCC1CCN(C(=O)c2cccn2C)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is ZASXMCOBRPLJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-10-11-5-8-16(9-6-11)13(17)12-4-3-7-15(12)2/h3-4,7,11,14H,5-6,8-10H2,1-2H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 235.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 63250656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).