(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone

C12H21N5O — CID 112735515

IUPAC(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCCN(C(=O)c2cn(C)nn2)C1
InChIInChI=1S/C12H21N5O/c1-3-6-13-10-5-4-7-17(8-10)12(18)11-9-16(2)15-14-11/h9-10,13H,3-8H2,1-2H3
InChIKeyJFYOQDGWAJGBAK-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.42
Rot. Bonds4

About (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone

(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone (PubChem CID 112735515) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone
PubChem CID112735515
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCCN(C(=O)c2cn(C)nn2)C1
InChIInChI=1S/C12H21N5O/c1-3-6-13-10-5-4-7-17(8-10)12(18)11-9-16(2)15-14-11/h9-10,13H,3-8H2,1-2H3
InChIKeyJFYOQDGWAJGBAK-UHFFFAOYSA-N
XLogP0.42
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 121200479
(3-chloropyrrolidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 130521214
[3-(bromomethyl)pyrrolidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 130521226
(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
(3-bromo-4-methylpiperidin-1-yl)-(1-methyltriazol-4-yl)methanone
CID 164663138
[3-(methylamino)piperidin-1-yl]-[1-(pyridin-2-ylmethyl)triazol-4-yl]methanone
CID 119492333
2-methyl-5-[1-(1-methyltriazole-4-carbonyl)piperidin-3-yl]-4-propan-2-yl-1,2,4-triazol-3-one
CID 90541316
[(3S)-3-(methylamino)piperidin-1-yl]-[1-(4-methylphenyl)triazol-4-yl]methanone
CID 124574837

Frequently Asked Questions

What is the IUPAC name of (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone (CID 112735515) is (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone is CCCNC1CCCN(C(=O)c2cn(C)nn2)C1.
What is the InChIKey of (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone?
The InChIKey is JFYOQDGWAJGBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-6-13-10-5-4-7-17(8-10)12(18)11-9-16(2)15-14-11/h9-10,13H,3-8H2,1-2H3.
What are the key properties of (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone?
(1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone has a molecular weight of 251.33 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyltriazol-4-yl)-[3-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 112735515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).