2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H33N3O2 — CID 111753132

IUPAC2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC2CN2CCCC2CO)CC1
InChIInChI=1S/C18H33N3O2/c1-15-6-10-19(11-7-15)18(23)13-21-9-2-4-16(21)12-20-8-3-5-17(20)14-22/h15-17,22H,2-14H2,1H3
InChIKeyXKTXIMLCMQPQNA-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.17
Rot. Bonds5

About 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 111753132) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID111753132
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC2CN2CCCC2CO)CC1
InChIInChI=1S/C18H33N3O2/c1-15-6-10-19(11-7-15)18(23)13-21-9-2-4-16(21)12-20-8-3-5-17(20)14-22/h15-17,22H,2-14H2,1H3
InChIKeyXKTXIMLCMQPQNA-UHFFFAOYSA-N
XLogP1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370713
2-[2-(aminomethyl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119916049
1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]piperidin-4-one
CID 55209746
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 62015912
(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62655699
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
[1-[[1-(2-chloroprop-2-enyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111781116
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 14799157
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 6931395
N-(1-cyano-1-cyclopropylethyl)-2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]acetamide
CID 111753190

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 111753132) is 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCCC2CN2CCCC2CO)CC1.
What is the InChIKey of 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is XKTXIMLCMQPQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15-6-10-19(11-7-15)18(23)13-21-9-2-4-16(21)12-20-8-3-5-17(20)14-22/h15-17,22H,2-14H2,1H3.
What are the key properties of 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 323.48 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 111753132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).