cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone

C19H27N5O3 — CID 134788824

IUPACcyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc3n2C(C(=O)N2CCOCC2)CC3)CC1
InChIInChI=1S/C19H27N5O3/c25-18(14-1-2-14)22-7-5-13(6-8-22)17-21-20-16-4-3-15(24(16)17)19(26)23-9-11-27-12-10-23/h13-15H,1-12H2
InChIKeyRLONDOQSVCIKCB-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.74
Rot. Bonds3

About cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone

cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone (PubChem CID 134788824) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone
PubChem CID134788824
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Namecyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc3n2C(C(=O)N2CCOCC2)CC3)CC1
InChIInChI=1S/C19H27N5O3/c25-18(14-1-2-14)22-7-5-13(6-8-22)17-21-20-16-4-3-15(24(16)17)19(26)23-9-11-27-12-10-23/h13-15H,1-12H2
InChIKeyRLONDOQSVCIKCB-UHFFFAOYSA-N
XLogP0.74
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone (CID 134788824) is cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nnc3n2C(C(=O)N2CCOCC2)CC3)CC1.
What is the InChIKey of cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is RLONDOQSVCIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c25-18(14-1-2-14)22-7-5-13(6-8-22)17-21-20-16-4-3-15(24(16)17)19(26)23-9-11-27-12-10-23/h13-15H,1-12H2.
What are the key properties of cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 373.46 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 134788824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).