[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone

C20H26N4O2 — CID 31054807

IUPAC[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
SMILESO=C([C@H]1CCCCO1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C20H26N4O2/c25-20(19-8-4-5-13-26-19)23-11-9-18(10-12-23)24-15-17(21-22-24)14-16-6-2-1-3-7-16/h1-3,6-7,15,18-19H,4-5,8-14H2/t19-/m1/s1
InChIKeyPAPGWGZIGIBCNK-LJQANCHMSA-N
MW354.45 g/mol
LogP2.60
Rot. Bonds4

About [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone

[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone (PubChem CID 31054807) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone.

Molecular Properties

Compound Name[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
PubChem CID31054807
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone
SMILESO=C([C@H]1CCCCO1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C20H26N4O2/c25-20(19-8-4-5-13-26-19)23-11-9-18(10-12-23)24-15-17(21-22-24)14-16-6-2-1-3-7-16/h1-3,6-7,15,18-19H,4-5,8-14H2/t19-/m1/s1
InChIKeyPAPGWGZIGIBCNK-LJQANCHMSA-N
XLogP2.60
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 167976735
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
[4-[4-(3-chlorophenyl)triazol-1-yl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 167937168
2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-6-methylpyridine-3-carboxamide
CID 46995940
benzyl 4-(oxolane-2-carbonyl)piperazine-1-carboxylate
CID 85064014
[4-[[4-(methylaminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(oxan-2-yl)methanone
CID 45221294
2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]pyrazine
CID 29103169
1-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110797536
oxolan-2-yl-[4-(1-phenylpropan-2-yl)piperazin-1-yl]methanone
CID 110399555
N-(2-benzylphenyl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 51944792
4-benzyl-1-(2,3-dihydro-1H-inden-2-yl)triazole
CID 68556485
N-benzyl-N-methyl-3-[1-[(2R)-oxane-2-carbonyl]piperidin-4-yl]propanamide
CID 97268661

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone?
The IUPAC name of [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone (CID 31054807) is [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone.
What is the SMILES notation for [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone?
The canonical SMILES for [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone is O=C([C@H]1CCCCO1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1.
What is the InChIKey of [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone?
The InChIKey is PAPGWGZIGIBCNK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N4O2/c25-20(19-8-4-5-13-26-19)23-11-9-18(10-12-23)24-15-17(21-22-24)14-16-6-2-1-3-7-16/h1-3,6-7,15,18-19H,4-5,8-14H2/t19-/m1/s1.
What are the key properties of [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone?
[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone has a molecular weight of 354.45 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzyltriazol-1-yl)piperidin-1-yl]-[(2R)-oxan-2-yl]methanone is sourced from PubChem (CID 31054807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).