[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone

C18H30N6O2 — CID 70720360

IUPAC[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1c(CN2CCCC2)nnc1C1CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H30N6O2/c1-21-16(14-22-6-2-3-7-22)19-20-17(21)15-5-4-8-24(13-15)18(25)23-9-11-26-12-10-23/h15H,2-14H2,1H3
InChIKeyHPDUDUYTPGSSAB-UHFFFAOYSA-N
MW362.48 g/mol
LogP1.04
Rot. Bonds3

About [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 70720360) has the molecular formula C18H30N6O2 and a molecular weight of 362.48 g/mol. Its IUPAC name is [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID70720360
Molecular FormulaC18H30N6O2
Molecular Weight362.48 g/mol
Exact Mass362.24
IUPAC Name[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCn1c(CN2CCCC2)nnc1C1CCCN(C(=O)N2CCOCC2)C1
InChIInChI=1S/C18H30N6O2/c1-21-16(14-22-6-2-3-7-22)19-20-17(21)15-5-4-8-24(13-15)18(25)23-9-11-26-12-10-23/h15H,2-14H2,1H3
InChIKeyHPDUDUYTPGSSAB-UHFFFAOYSA-N
XLogP1.04
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 70720360) is [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is Cn1c(CN2CCCC2)nnc1C1CCCN(C(=O)N2CCOCC2)C1.
What is the InChIKey of [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is HPDUDUYTPGSSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O2/c1-21-16(14-22-6-2-3-7-22)19-20-17(21)15-5-4-8-24(13-15)18(25)23-9-11-26-12-10-23/h15H,2-14H2,1H3.
What are the key properties of [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 362.48 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70720360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).