2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide

C13H25N3O — CID 115271888

IUPAC2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESCN1CCCC(CC(=O)NCC2CCNC2)C1
InChIInChI=1S/C13H25N3O/c1-16-6-2-3-11(10-16)7-13(17)15-9-12-4-5-14-8-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyPRRNZNPHVVIOIF-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds4

About 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide

2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide (PubChem CID 115271888) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
PubChem CID115271888
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
SMILESCN1CCCC(CC(=O)NCC2CCNC2)C1
InChIInChI=1S/C13H25N3O/c1-16-6-2-3-11(10-16)7-13(17)15-9-12-4-5-14-8-12/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyPRRNZNPHVVIOIF-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
1-(1-methylpiperidin-3-yl)-3-(pyrrolidin-3-ylmethyl)urea
CID 117234767
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-piperidin-3-ylacetamide
CID 63897115
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-piperidin-3-ylacetamide
CID 62690196
N-[(1-methylpiperidin-3-yl)methyl]-4-oxopentanamide
CID 65419155
2-(oxan-4-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271886
3-[[2-(1-methylpiperidin-3-yl)acetyl]amino]propanoic acid
CID 110837529
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-(cyclopentylmethyl)-2-(1-methylpiperazin-2-yl)acetamide
CID 115178411
N-methyl-N-[2-(1-methylpiperidin-3-yl)ethyl]-2-pyrrolidin-3-ylacetamide
CID 115160418

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide (CID 115271888) is 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide is CN1CCCC(CC(=O)NCC2CCNC2)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
The InChIKey is PRRNZNPHVVIOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16-6-2-3-11(10-16)7-13(17)15-9-12-4-5-14-8-12/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide?
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide has a molecular weight of 239.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide is sourced from PubChem (CID 115271888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).