2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone

C14H27N3O — CID 61205358

IUPAC2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCNCC1CCCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-15-10-13-6-5-7-16(11-13)12-14(18)17-8-3-2-4-9-17/h13,15H,2-12H2,1H3
InChIKeyRZWWHDLRKIUMKL-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds4

About 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone

2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 61205358) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID61205358
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCNCC1CCCN(CC(=O)N2CCCCC2)C1
InChIInChI=1S/C14H27N3O/c1-15-10-13-6-5-7-16(11-13)12-14(18)17-8-3-2-4-9-17/h13,15H,2-12H2,1H3
InChIKeyRZWWHDLRKIUMKL-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63267736
N-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 131924742
1-[2-[3-(methylaminomethyl)piperidin-1-yl]acetyl]pyrrolidin-2-one
CID 61204984
1-(azepan-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119918785
2-(3-aminopiperidin-1-yl)-1-(azepan-1-yl)ethanone
CID 61296313
N-[[1-[2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-oxoethyl]piperidin-3-yl]methyl]acetamide
CID 86854641
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
methyl (3S)-1-[2-(azocan-1-yl)-2-oxoethyl]piperidine-3-carboxylate
CID 79037659
1-(azepan-1-yl)-2-[(3R)-3-hydroxypiperidin-1-yl]ethanone
CID 129367078
1-(azocan-1-yl)-2-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107226024
1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]-2-[(2S)-2-methylpyrrolidin-1-yl]ethanone
CID 124687749

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 61205358) is 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone is CNCC1CCCN(CC(=O)N2CCCCC2)C1.
What is the InChIKey of 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is RZWWHDLRKIUMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-15-10-13-6-5-7-16(11-13)12-14(18)17-8-3-2-4-9-17/h13,15H,2-12H2,1H3.
What are the key properties of 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylaminomethyl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 61205358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).