(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone

C15H19N5O — CID 119374753

IUPAC(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2cc(C(=O)N3CCC(N)CC3)nn2)c1
InChIInChI=1S/C15H19N5O/c1-11-3-2-4-13(9-11)20-10-14(17-18-20)15(21)19-7-5-12(16)6-8-19/h2-4,9-10,12H,5-8,16H2,1H3
InChIKeyNOJSAYNYYSIPRN-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.14
Rot. Bonds2

About (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone

(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone (PubChem CID 119374753) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
PubChem CID119374753
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone
SMILESCc1cccc(-n2cc(C(=O)N3CCC(N)CC3)nn2)c1
InChIInChI=1S/C15H19N5O/c1-11-3-2-4-13(9-11)20-10-14(17-18-20)15(21)19-7-5-12(16)6-8-19/h2-4,9-10,12H,5-8,16H2,1H3
InChIKeyNOJSAYNYYSIPRN-UHFFFAOYSA-N
XLogP1.14
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-aminopiperidin-1-yl)-[1-(3,5-dimethylphenyl)triazol-4-yl]methanone
CID 53489698
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119485152
[4-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119518752
(4-aminopiperidin-1-yl)-(1-phenyltriazol-4-yl)methanone
CID 66485052
[(3R)-3-hydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 111561076
(4-aminopiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]methanone
CID 119373731
[4-(3-methylphenyl)piperazin-1-yl]-(1-phenyltriazol-4-yl)methanone
CID 46407910
[3-(methylamino)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 119490474
(4-aminopiperidin-1-yl)-[1-(2-methylphenyl)triazol-4-yl]methanone
CID 66485055
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone;hydrochloride
CID 119594665
(4-aminopiperidin-1-yl)-[1-(4-fluorophenyl)triazol-4-yl]methanone
CID 53491083
[(2S)-2-(aminomethyl)piperidin-1-yl]-[1-(3-methylphenyl)triazol-4-yl]methanone
CID 124698513

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone (CID 119374753) is (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone is Cc1cccc(-n2cc(C(=O)N3CCC(N)CC3)nn2)c1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone?
The InChIKey is NOJSAYNYYSIPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11-3-2-4-13(9-11)20-10-14(17-18-20)15(21)19-7-5-12(16)6-8-19/h2-4,9-10,12H,5-8,16H2,1H3.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone?
(4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone has a molecular weight of 285.35 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(3-methylphenyl)triazol-4-yl]methanone is sourced from PubChem (CID 119374753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).