(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

C17H23N5O — CID 119545055

IUPAC(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C17H23N5O/c1-18-11-14-7-9-21(10-8-14)17(23)16-13-22(20-19-16)12-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKeyVUTRTILQSYVZRJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.40
Rot. Bonds5

About (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone

(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119545055) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119545055
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C17H23N5O/c1-18-11-14-7-9-21(10-8-14)17(23)16-13-22(20-19-16)12-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3
InChIKeyVUTRTILQSYVZRJ-UHFFFAOYSA-N
XLogP1.40
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-benzyltriazol-4-yl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623754
(1-benzyltriazol-4-yl)-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 71931378
(1-benzyltriazol-4-yl)-piperazin-1-ylmethanone
CID 119402143
(1-benzyltriazol-4-yl)-[(3R)-3-phenoxypyrrolidin-1-yl]methanone
CID 95627873
1-[4-(1-benzyltriazole-4-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021758
(4-benzylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanone
CID 57403942
(1-benzyltriazol-4-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 110886791
[4-(benzenesulfonyl)piperazin-1-yl]-(1-benzyltriazol-4-yl)methanone
CID 31769999
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
1-benzyl-N'-(cyclopropanecarbonyl)triazole-4-carbohydrazide
CID 36706465
(4-benzylpiperidin-1-yl)-(1-benzyltriazol-4-yl)methanethione
CID 1499717
[4-(methylaminomethyl)piperidin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 119546686

Frequently Asked Questions

What is the IUPAC name of (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119545055) is (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2cn(Cc3ccccc3)nn2)CC1.
What is the InChIKey of (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is VUTRTILQSYVZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-18-11-14-7-9-21(10-8-14)17(23)16-13-22(20-19-16)12-15-5-3-2-4-6-15/h2-6,13-14,18H,7-12H2,1H3.
What are the key properties of (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone?
(1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyltriazol-4-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119545055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).