[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone

C22H26N6O2 — CID 44555312

IUPAC[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone
SMILESNc1ncc(N2CCN(C(=O)C3CCCNC3)CC2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C22H26N6O2/c23-20-17(21-26-18-5-1-2-6-19(18)30-21)12-16(14-25-20)27-8-10-28(11-9-27)22(29)15-4-3-7-24-13-15/h1-2,5-6,12,14-15,24H,3-4,7-11,13H2,(H2,23,25)
InChIKeyUWIPQSRJFKVXLY-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.12
Rot. Bonds3

About [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone

[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 44555312) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID44555312
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone
SMILESNc1ncc(N2CCN(C(=O)C3CCCNC3)CC2)cc1-c1nc2ccccc2o1
InChIInChI=1S/C22H26N6O2/c23-20-17(21-26-18-5-1-2-6-19(18)30-21)12-16(14-25-20)27-8-10-28(11-9-27)22(29)15-4-3-7-24-13-15/h1-2,5-6,12,14-15,24H,3-4,7-11,13H2,(H2,23,25)
InChIKeyUWIPQSRJFKVXLY-UHFFFAOYSA-N
XLogP2.12
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone with MolForge

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Related Compounds

(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81118918
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;hydrochloride
CID 122081639
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
3-(1,3-benzoxazol-2-yl)-5-(6-piperazin-1-yl-3-pyridinyl)pyridin-2-amine
CID 67388374
(4-phenyl-1,4-diazepan-1-yl)-pyrrolidin-3-ylmethanone;dihydrochloride
CID 119860825
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119887289
1-[5-(1,3-benzoxazol-2-yl)-6-(tert-butylamino)-3-pyridinyl]piperidine-3-carbonyl chloride
CID 89131430
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
[4-(3-nitrophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119858316
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone (CID 44555312) is [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone is Nc1ncc(N2CCN(C(=O)C3CCCNC3)CC2)cc1-c1nc2ccccc2o1.
What is the InChIKey of [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is UWIPQSRJFKVXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c23-20-17(21-26-18-5-1-2-6-19(18)30-21)12-16(14-25-20)27-8-10-28(11-9-27)22(29)15-4-3-7-24-13-15/h1-2,5-6,12,14-15,24H,3-4,7-11,13H2,(H2,23,25).
What are the key properties of [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone?
[4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 406.49 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]piperazin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 44555312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).