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

C19H31N5O2 — CID 70757749

IUPACcyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H31N5O2/c1-22-17(14-23-10-12-26-13-11-23)20-21-18(22)15-6-8-24(9-7-15)19(25)16-4-2-3-5-16/h15-16H,2-14H2,1H3
InChIKeySQNPVYVHRBMWPO-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.54
Rot. Bonds4

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

cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 70757749) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
PubChem CID70757749
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Namecyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
SMILESCn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C19H31N5O2/c1-22-17(14-23-10-12-26-13-11-23)20-21-18(22)15-6-8-24(9-7-15)19(25)16-4-2-3-5-16/h15-16H,2-14H2,1H3
InChIKeySQNPVYVHRBMWPO-UHFFFAOYSA-N
XLogP1.54
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone (CID 70757749) is cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is Cn1c(CN2CCOCC2)nnc1C1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is SQNPVYVHRBMWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-22-17(14-23-10-12-26-13-11-23)20-21-18(22)15-6-8-24(9-7-15)19(25)16-4-2-3-5-16/h15-16H,2-14H2,1H3.
What are the key properties of cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone?
cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 70757749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).