(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone

C9H15N5O — CID 121200479

IUPAC(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(N)C2)nn1
InChIInChI=1S/C9H15N5O/c1-13-6-8(11-12-13)9(15)14-4-2-3-7(10)5-14/h6-7H,2-5,10H2,1H3
InChIKeySFMWEHFSYOOAFI-UHFFFAOYSA-N
MW209.25 g/mol
LogP-0.62
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone

(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone (PubChem CID 121200479) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
PubChem CID121200479
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CCCC(N)C2)nn1
InChIInChI=1S/C9H15N5O/c1-13-6-8(11-12-13)9(15)14-4-2-3-7(10)5-14/h6-7H,2-5,10H2,1H3
InChIKeySFMWEHFSYOOAFI-UHFFFAOYSA-N
XLogP-0.62
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone
CID 112735515
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
(1-methyltriazol-4-yl)-(3-phenylazepan-1-yl)methanone
CID 90608567
[(3R,4S)-3-fluoro-4-hydroxypiperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 129270615
(3,5-dimethylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 110436926
(1-methyltriazol-4-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255852
[4-(chloromethyl)piperidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 164663089
2-methyl-5-[1-(1-methyltriazole-4-carbonyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541316
(3-aminopiperidin-1-yl)-pyridin-2-ylmethanone
CID 61295902
1-(1-methyltriazole-4-carbonyl)piperidine-4-carboxylic acid
CID 110461894

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone (CID 121200479) is (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone is Cn1cc(C(=O)N2CCCC(N)C2)nn1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
The InChIKey is SFMWEHFSYOOAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-13-6-8(11-12-13)9(15)14-4-2-3-7(10)5-14/h6-7H,2-5,10H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone?
(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone has a molecular weight of 209.25 g/mol, XLogP of -0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone is sourced from PubChem (CID 121200479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).