[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate

C20H25N5O4 — CID 126803064

IUPAC[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
SMILESO=C(OCC1CCCCN1C(=O)c1cccc(-n2ccnn2)c1)N1CCOCC1
InChIInChI=1S/C20H25N5O4/c26-19(16-4-3-6-17(14-16)25-9-7-21-22-25)24-8-2-1-5-18(24)15-29-20(27)23-10-12-28-13-11-23/h3-4,6-7,9,14,18H,1-2,5,8,10-13,15H2
InChIKeyCCEGERZMMNQOIG-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.73
Rot. Bonds4

About [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate

[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate (PubChem CID 126803064) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
PubChem CID126803064
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate
SMILESO=C(OCC1CCCCN1C(=O)c1cccc(-n2ccnn2)c1)N1CCOCC1
InChIInChI=1S/C20H25N5O4/c26-19(16-4-3-6-17(14-16)25-9-7-21-22-25)24-8-2-1-5-18(24)15-29-20(27)23-10-12-28-13-11-23/h3-4,6-7,9,14,18H,1-2,5,8,10-13,15H2
InChIKeyCCEGERZMMNQOIG-UHFFFAOYSA-N
XLogP1.73
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 96580443
(2-cyclopropylmorpholin-4-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 154799180
[1-[2-(cyclopropylmethyl)-1,3-oxazole-4-carbonyl]piperidin-2-yl]methyl morpholine-4-carboxylate
CID 126812872
[1-[3-[5-(trifluoromethyl)pyrazol-1-yl]benzoyl]piperidin-2-yl]methyl N-propan-2-ylcarbamate
CID 166200370
[4-[[(2S)-1-(3-methylbenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900487
[(6S)-6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 129484539
(4,4-difluoro-3-hydroxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 118496851
[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 70729734
[7a-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]-3,3a,4,5,6,7-hexahydro-1H-isoindol-2-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 166328122
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
(3-quinolin-2-yloxypiperidin-1-yl)-[3-(triazol-1-yl)phenyl]methanone
CID 144671440
[1-(3-nitrobenzoyl)piperidin-2-yl]methyl 3-nitrobenzoate
CID 10621651

Frequently Asked Questions

What is the IUPAC name of [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
The IUPAC name of [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate (CID 126803064) is [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate.
What is the SMILES notation for [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
The canonical SMILES for [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate is O=C(OCC1CCCCN1C(=O)c1cccc(-n2ccnn2)c1)N1CCOCC1.
What is the InChIKey of [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
The InChIKey is CCEGERZMMNQOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-19(16-4-3-6-17(14-16)25-9-7-21-22-25)24-8-2-1-5-18(24)15-29-20(27)23-10-12-28-13-11-23/h3-4,6-7,9,14,18H,1-2,5,8,10-13,15H2.
What are the key properties of [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate?
[1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(triazol-1-yl)benzoyl]piperidin-2-yl]methyl morpholine-4-carboxylate is sourced from PubChem (CID 126803064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).