2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide

C13H23N3O2 — CID 55228818

IUPAC2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC1CNCC1C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-9-7-15-8-11(9)13(18)16-4-2-10(3-5-16)6-12(14)17/h9-11,15H,2-8H2,1H3,(H2,14,17)
InChIKeyWJPYJBILGXPMMA-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.04
Rot. Bonds3

About 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide

2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide (PubChem CID 55228818) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
PubChem CID55228818
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
SMILESCC1CNCC1C(=O)N1CCC(CC(N)=O)CC1
InChIInChI=1S/C13H23N3O2/c1-9-7-15-8-11(9)13(18)16-4-2-10(3-5-16)6-12(14)17/h9-11,15H,2-8H2,1H3,(H2,14,17)
InChIKeyWJPYJBILGXPMMA-UHFFFAOYSA-N
XLogP-0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
CID 130804817
(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588
2-[1-(2-aminocyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 64822434
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
2-[1-(piperazine-2-carbonyl)piperidin-4-yl]acetamide
CID 55176681
2-[1-(6-methylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54989106
2-methyl-N-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 63715305
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107220773
2-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54873089

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide (CID 55228818) is 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide is CC1CNCC1C(=O)N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is WJPYJBILGXPMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9-7-15-8-11(9)13(18)16-4-2-10(3-5-16)6-12(14)17/h9-11,15H,2-8H2,1H3,(H2,14,17).
What are the key properties of 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide?
2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 253.35 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 55228818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).