4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one

C14H27N3O2 — CID 19994818

IUPAC4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESCOC1CN(CCCC(=O)N2CCCC2)CCC1N
InChIInChI=1S/C14H27N3O2/c1-19-13-11-16(10-6-12(13)15)7-4-5-14(18)17-8-2-3-9-17/h12-13H,2-11,15H2,1H3
InChIKeyQPGOPGWIMGCFRY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds5

About 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one

4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 19994818) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID19994818
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one
SMILESCOC1CN(CCCC(=O)N2CCCC2)CCC1N
InChIInChI=1S/C14H27N3O2/c1-19-13-11-16(10-6-12(13)15)7-4-5-14(18)17-8-2-3-9-17/h12-13H,2-11,15H2,1H3
InChIKeyQPGOPGWIMGCFRY-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[3-methoxy-1-(4-oxo-4-piperidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 70049058
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 67922911
5-tert-butyl-2-hydroxy-N-[(3S,4R)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]benzamide
CID 15078525
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-5-phenylpentan-1-one
CID 56875991
5-chloro-2-methoxy-N-[3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]-4-(methylamino)benzamide
CID 19994868
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
4-amino-2-ethoxy-N-[(3R,4S)-3-methoxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)piperidin-4-yl]-5-nitrobenzamide
CID 67922944
1-[(3S,4R)-4-amino-3-methoxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 56872537
butyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 137371260
N-[(3R,4S)-1-[4-(4-acetylpiperidin-1-yl)-4-oxobutyl]-3-methoxypiperidin-4-yl]-4-amino-5-chloro-2-methoxybenzamide
CID 67922964
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
1-(3-methoxypropyl)pyrrolidine-3-carboxylic acid
CID 63032422

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one (CID 19994818) is 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one is COC1CN(CCCC(=O)N2CCCC2)CCC1N.
What is the InChIKey of 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is QPGOPGWIMGCFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-19-13-11-16(10-6-12(13)15)7-4-5-14(18)17-8-2-3-9-17/h12-13H,2-11,15H2,1H3.
What are the key properties of 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one?
4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methoxypiperidin-1-yl)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 19994818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).