N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide

C13H25N3O — CID 60855593

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCN1CCC(CNC(=O)CC2CCNCC2)C1
InChIInChI=1S/C13H25N3O/c1-16-7-4-12(10-16)9-15-13(17)8-11-2-5-14-6-3-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyNNDZMOAQMSSYDS-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.44
Rot. Bonds4

About N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide

N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide (PubChem CID 60855593) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
PubChem CID60855593
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
SMILESCN1CCC(CNC(=O)CC2CCNCC2)C1
InChIInChI=1S/C13H25N3O/c1-16-7-4-12(10-16)9-15-13(17)8-11-2-5-14-6-3-11/h11-12,14H,2-10H2,1H3,(H,15,17)
InChIKeyNNDZMOAQMSSYDS-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-piperazin-1-ylacetamide
CID 54927931
2-(1-methylpiperidin-3-yl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 115271888
N,N'-bis[(1-methylpyrrolidin-3-yl)methyl]-3-oxopentanediamide
CID 20664945
N-[(1-methylpiperidin-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114627369
N-[(1-methylpyrrolidin-3-yl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208872
2-cycloheptyl-N-(piperidin-4-ylmethyl)acetamide
CID 115736681
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
4,4,4-trifluoro-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]butanamide
CID 95212961
N-(1,3-dimethylpiperidin-4-yl)-2-piperidin-4-ylacetamide
CID 113267502
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
ethane;molecular hydrogen;N-(2-piperazin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 177321931

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide (CID 60855593) is N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide is CN1CCC(CNC(=O)CC2CCNCC2)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide?
The InChIKey is NNDZMOAQMSSYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-16-7-4-12(10-16)9-15-13(17)8-11-2-5-14-6-3-11/h11-12,14H,2-10H2,1H3,(H,15,17).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide 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 N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 60855593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).