2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one

C13H23N5O — CID 106220722

IUPAC2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cc(CCCN)nn1
InChIInChI=1S/C13H23N5O/c1-11(13(19)17-8-3-2-4-9-17)18-10-12(15-16-18)6-5-7-14/h10-11H,2-9,14H2,1H3
InChIKeyUYMWBNJJBQCFAK-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.74
Rot. Bonds5

About 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 106220722) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID106220722
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)n1cc(CCCN)nn1
InChIInChI=1S/C13H23N5O/c1-11(13(19)17-8-3-2-4-9-17)18-10-12(15-16-18)6-5-7-14/h10-11H,2-9,14H2,1H3
InChIKeyUYMWBNJJBQCFAK-UHFFFAOYSA-N
XLogP0.74
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(azepan-1-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]propan-1-one
CID 62399439
2-[4-(hydroxymethyl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 62399963
2-[1-[1-(azepan-1-yl)-1-oxopropan-2-yl]triazol-4-yl]acetic acid
CID 107461826
2-amino-N-[[1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)triazol-4-yl]methyl]acetamide
CID 114778570
(3S)-2-[4-(4-aminobutyl)triazol-1-yl]-3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 126547383
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63999918
2-[4-(4-aminobutyl)triazol-1-yl]-N-butylpropanamide
CID 106209360
2-[4-(4-aminobutyl)triazol-1-yl]-N-(ethylcarbamoyl)propanamide
CID 106209559
2-[4-(2-aminoethyl)triazol-1-yl]-N-methylpropanamide
CID 116642219
2-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62401695
N'-[[1-[(2S)-1-(4-tert-butylpiperazin-1-yl)-1-oxopropan-2-yl]triazol-4-yl]methyl]ethanimidamide
CID 89293474
(2S)-3-amino-2-(4-butyltriazol-1-yl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 71138088

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one (CID 106220722) is 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)n1cc(CCCN)nn1.
What is the InChIKey of 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is UYMWBNJJBQCFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(13(19)17-8-3-2-4-9-17)18-10-12(15-16-18)6-5-7-14/h10-11H,2-9,14H2,1H3.
What are the key properties of 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 265.36 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)triazol-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 106220722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).