(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone

C17H29N5O2 — CID 119821786

IUPAC(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(OCC(C)C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O2/c1-12(2)11-24-15-6-9-21(10-15)17(23)16-13(3)22(20-19-16)14-4-7-18-8-5-14/h12,14-15,18H,4-11H2,1-3H3
InChIKeyQTVMZMKNEKKLAF-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.40
Rot. Bonds5

About (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone

(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone (PubChem CID 119821786) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
PubChem CID119821786
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone
SMILESCc1c(C(=O)N2CCC(OCC(C)C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H29N5O2/c1-12(2)11-24-15-6-9-21(10-15)17(23)16-13(3)22(20-19-16)14-4-7-18-8-5-14/h12,14-15,18H,4-11H2,1-3H3
InChIKeyQTVMZMKNEKKLAF-UHFFFAOYSA-N
XLogP1.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone (CID 119821786) is (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone is Cc1c(C(=O)N2CCC(OCC(C)C)C2)nnn1C1CCNCC1.
What is the InChIKey of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
The InChIKey is QTVMZMKNEKKLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-12(2)11-24-15-6-9-21(10-15)17(23)16-13(3)22(20-19-16)14-4-7-18-8-5-14/h12,14-15,18H,4-11H2,1-3H3.
What are the key properties of (5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone?
(5-methyl-1-piperidin-4-yltriazol-4-yl)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone has a molecular weight of 335.45 g/mol, XLogP of 1.40, 5 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)-[3-(2-methylpropoxy)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119821786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).