(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone

C18H25N5OS — CID 124701146

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CCCN2C(=O)c2nnn(C3CCNCC3)c2C)s1
InChIInChI=1S/C18H25N5OS/c1-12-5-6-16(25-12)15-4-3-11-22(15)18(24)17-13(2)23(21-20-17)14-7-9-19-10-8-14/h5-6,14-15,19H,3-4,7-11H2,1-2H3/t15-/m0/s1
InChIKeyLQTPXSMJSODBQJ-HNNXBMFYSA-N
MW359.50 g/mol
LogP2.86
Rot. Bonds3

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone

(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 124701146) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
PubChem CID124701146
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc([C@@H]2CCCN2C(=O)c2nnn(C3CCNCC3)c2C)s1
InChIInChI=1S/C18H25N5OS/c1-12-5-6-16(25-12)15-4-3-11-22(15)18(24)17-13(2)23(21-20-17)14-7-9-19-10-8-14/h5-6,14-15,19H,3-4,7-11H2,1-2H3/t15-/m0/s1
InChIKeyLQTPXSMJSODBQJ-HNNXBMFYSA-N
XLogP2.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119773292
[2-(1H-indol-2-yl)piperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 119776619
[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124693006
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119767292
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119693374
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119721578
[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124695855
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(3-phenylthiomorpholin-4-yl)methanone;hydrochloride
CID 119708916
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 119721741
[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124697618
[(2R)-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone
CID 124698009
[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119748666

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone (CID 124701146) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone is Cc1ccc([C@@H]2CCCN2C(=O)c2nnn(C3CCNCC3)c2C)s1.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LQTPXSMJSODBQJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-12-5-6-16(25-12)15-4-3-11-22(15)18(24)17-13(2)23(21-20-17)14-7-9-19-10-8-14/h5-6,14-15,19H,3-4,7-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 359.50 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[(2S)-2-(5-methylthiophen-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124701146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).