[4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone

C16H21N5O2 — CID 650093

IUPAC[4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C16H21N5O2/c22-16(20-9-11-23-12-10-20)19-7-5-13(6-8-19)21-15-4-2-1-3-14(15)17-18-21/h1-4,13H,5-12H2
InChIKeySTZXDVICVBCWGE-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.52
Rot. Bonds1

About [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone

[4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 650093) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID650093
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCC(n2nnc3ccccc32)CC1
InChIInChI=1S/C16H21N5O2/c22-16(20-9-11-23-12-10-20)19-7-5-13(6-8-19)21-15-4-2-1-3-14(15)17-18-21/h1-4,13H,5-12H2
InChIKeySTZXDVICVBCWGE-UHFFFAOYSA-N
XLogP1.52
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone (CID 650093) is [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCC(n2nnc3ccccc32)CC1.
What is the InChIKey of [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is STZXDVICVBCWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c22-16(20-9-11-23-12-10-20)19-7-5-13(6-8-19)21-15-4-2-1-3-14(15)17-18-21/h1-4,13H,5-12H2.
What are the key properties of [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone?
[4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 315.38 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzotriazol-1-yl)piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 650093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).