1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

C16H29N3O — CID 62273039

IUPAC1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC2C2CCCN2)CC1
InChIInChI=1S/C16H29N3O/c1-13-6-10-18(11-7-13)16(20)12-19-9-3-5-15(19)14-4-2-8-17-14/h13-15,17H,2-12H2,1H3
InChIKeyRMKHMFKMLFVGSR-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.46
Rot. Bonds3

About 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 62273039) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID62273039
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
SMILESCC1CCN(C(=O)CN2CCCC2C2CCCN2)CC1
InChIInChI=1S/C16H29N3O/c1-13-6-10-18(11-7-13)16(20)12-19-9-3-5-15(19)14-4-2-8-17-14/h13-15,17H,2-12H2,1H3
InChIKeyRMKHMFKMLFVGSR-UHFFFAOYSA-N
XLogP1.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyrrolidin-1-yl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone
CID 62275280
N-ethyl-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273210
N-(2-methylbutan-2-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273739
N-(3-methylbutyl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62273730
(2S)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910660
1-(2-fluoroethyl)-2-pyrrolidin-2-ylpyrrolidine
CID 80693813
N-ethyl-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanamide
CID 62325407
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61370713
methyl N-[2-(2-pyrrolidin-2-ylpiperidin-1-yl)acetyl]carbamate
CID 55167806
1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carbaldehyde
CID 62655699
3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propanenitrile
CID 62273055
N-(cyclopenten-1-yl)-N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)acetamide
CID 62274435

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone (CID 62273039) is 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is CC1CCN(C(=O)CN2CCCC2C2CCCN2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is RMKHMFKMLFVGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13-6-10-18(11-7-13)16(20)12-19-9-3-5-15(19)14-4-2-8-17-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 279.43 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62273039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).