[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

C12H23N3O — CID 79160945

IUPAC[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCNCC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-13-10-11-4-8-15(9-5-11)12(16)14-6-2-3-7-14/h11,13H,2-10H2,1H3
InChIKeyUQJUMCPJVZEZNZ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.13
Rot. Bonds2

About [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone

[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 79160945) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID79160945
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCNCC1CCN(C(=O)N2CCCC2)CC1
InChIInChI=1S/C12H23N3O/c1-13-10-11-4-8-15(9-5-11)12(16)14-6-2-3-7-14/h11,13H,2-10H2,1H3
InChIKeyUQJUMCPJVZEZNZ-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone 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

azepan-1-yl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 79152654
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161245
cyclopropyl-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 169490468
4-(methylaminomethyl)piperidine-1-carboxamide
CID 63248763
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
2-cyclobutyl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 103806634
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
[4-(cyclopropylmethylamino)piperidin-1-yl]-piperidin-1-ylmethanone
CID 115307169
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344
cyclohexyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264265
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119545230

Frequently Asked Questions

What is the IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone (CID 79160945) is [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is CNCC1CCN(C(=O)N2CCCC2)CC1.
What is the InChIKey of [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UQJUMCPJVZEZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-13-10-11-4-8-15(9-5-11)12(16)14-6-2-3-7-14/h11,13H,2-10H2,1H3.
What are the key properties of [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 79160945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).