1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one

C10H17N5O — CID 43556263

IUPAC1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
SMILESNC1CCN(C(=O)CCn2ccnn2)CC1
InChIInChI=1S/C10H17N5O/c11-9-1-5-14(6-2-9)10(16)3-7-15-8-4-12-13-15/h4,8-9H,1-3,5-7,11H2
InChIKeyHOETUTPTSQDUJV-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.38
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one

1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one (PubChem CID 43556263) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
PubChem CID43556263
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
SMILESNC1CCN(C(=O)CCn2ccnn2)CC1
InChIInChI=1S/C10H17N5O/c11-9-1-5-14(6-2-9)10(16)3-7-15-8-4-12-13-15/h4,8-9H,1-3,5-7,11H2
InChIKeyHOETUTPTSQDUJV-UHFFFAOYSA-N
XLogP-0.38
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxypiperidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 43417117
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 80552633
1-(3-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one;hydrochloride
CID 119377867
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63006196
1-(3-hydroxyazetidin-1-yl)-3-(triazol-1-yl)propan-1-one
CID 63106204
3-methyl-1-[3-(triazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 114278479
3-amino-1-[3-(triazol-1-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 107323391
1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 63939062
1-[(3R)-3-methylpiperazin-1-yl]-3-(triazol-1-yl)propan-1-one
CID 104974882
1-[(3R)-3-aminopyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one;dihydrochloride
CID 119410423
1-[3-(triazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43211077
1-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-3-(triazol-1-yl)propan-1-one
CID 43594543

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one (CID 43556263) is 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one is NC1CCN(C(=O)CCn2ccnn2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
The InChIKey is HOETUTPTSQDUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c11-9-1-5-14(6-2-9)10(16)3-7-15-8-4-12-13-15/h4,8-9H,1-3,5-7,11H2.
What are the key properties of 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one?
1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one has a molecular weight of 223.28 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-3-(triazol-1-yl)propan-1-one is sourced from PubChem (CID 43556263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).