3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide

C22H32N4O2 — CID 86999034

IUPAC3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCCC(c3nc4ccccc4o3)C2)CC(C)(C)N1
InChIInChI=1S/C22H32N4O2/c1-21(2)12-16(13-22(3,4)25-21)23-20(27)26-11-7-8-15(14-26)19-24-17-9-5-6-10-18(17)28-19/h5-6,9-10,15-16,25H,7-8,11-14H2,1-4H3,(H,23,27)
InChIKeyNKJOODRUTZJFBO-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.03
Rot. Bonds2

About 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide

3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide (PubChem CID 86999034) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
PubChem CID86999034
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCCC(c3nc4ccccc4o3)C2)CC(C)(C)N1
InChIInChI=1S/C22H32N4O2/c1-21(2)12-16(13-22(3,4)25-21)23-20(27)26-11-7-8-15(14-26)19-24-17-9-5-6-10-18(17)28-19/h5-6,9-10,15-16,25H,7-8,11-14H2,1-4H3,(H,23,27)
InChIKeyNKJOODRUTZJFBO-UHFFFAOYSA-N
XLogP4.03
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3R)-3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 38316652
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperidine-1-carboxamide
CID 94031409
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 38317016
[(3R)-3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[(2S)-1,4-dioxan-2-yl]methanone
CID 38314468
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 47026887
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 139599749
1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 118776934
5-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 77092250
(3S)-3-(1,3-benzoxazol-2-yl)-N-[(3-ethylimidazol-4-yl)methyl]piperidine-1-carboxamide
CID 125444704
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-hydroxy-3,4-dimethylphenyl)methanone
CID 87016631
3-(1,3-benzoxazol-2-yl)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 78886648
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 42957516

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide (CID 86999034) is 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide is CC1(C)CC(NC(=O)N2CCCC(c3nc4ccccc4o3)C2)CC(C)(C)N1.
What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide?
The InChIKey is NKJOODRUTZJFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-21(2)12-16(13-22(3,4)25-21)23-20(27)26-11-7-8-15(14-26)19-24-17-9-5-6-10-18(17)28-19/h5-6,9-10,15-16,25H,7-8,11-14H2,1-4H3,(H,23,27).
What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide?
3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 86999034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).