3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

C13H25N3O — CID 83620444

IUPAC3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCC1CN1CCCCC1
InChIInChI=1S/C13H25N3O/c14-7-6-13(17)16-10-4-5-12(16)11-15-8-2-1-3-9-15/h12H,1-11,14H2
InChIKeyZYJXVIWCGWIEDM-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.81
Rot. Bonds4

About 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 83620444) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
PubChem CID83620444
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
SMILESNCCC(=O)N1CCCC1CN1CCCCC1
InChIInChI=1S/C13H25N3O/c14-7-6-13(17)16-10-4-5-12(16)11-15-8-2-1-3-9-15/h12H,1-11,14H2
InChIKeyZYJXVIWCGWIEDM-UHFFFAOYSA-N
XLogP0.81
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-amino-1-[(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124692182
3-(2-aminophenyl)-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
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3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
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3-amino-1-[2-(2-methylpropyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119334196
3-amino-1-[(2S)-2-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129323138
3-(3-bromophenyl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
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2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
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3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
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2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
3-amino-2-methyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one (CID 83620444) is 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is NCCC(=O)N1CCCC1CN1CCCCC1.
What is the InChIKey of 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is ZYJXVIWCGWIEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c14-7-6-13(17)16-10-4-5-12(16)11-15-8-2-1-3-9-15/h12H,1-11,14H2.
What are the key properties of 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one?
3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 239.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 83620444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).