[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium

C20H32N3O2+ — CID 8768496

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)21-17(24)15-22(4)18(16-11-7-5-8-12-16)19(25)23-13-9-6-10-14-23/h5,7-8,11-12,18H,6,9-10,13-15H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyAHSOIQOXTFALBW-SFHVURJKSA-O
MW346.50 g/mol
LogP1.17
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium (PubChem CID 8768496) has the molecular formula C20H32N3O2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
PubChem CID8768496
Molecular FormulaC20H32N3O2+
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
SMILESC[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H31N3O2/c1-20(2,3)21-17(24)15-22(4)18(16-11-7-5-8-12-16)19(25)23-13-9-6-10-14-23/h5,7-8,11-12,18H,6,9-10,13-15H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1
InChIKeyAHSOIQOXTFALBW-SFHVURJKSA-O
XLogP1.17
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
CID 8768184
[2-(2-ethylanilino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
CID 8789372
[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8768622
1-(azocan-1-yl)-2-phenylpentan-1-one
CID 55354834
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
2,2-dimethyl-N-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]propanamide
CID 110286834
(2S)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 11257941
(2R)-2-hydroxy-2-phenyl-1-piperidin-1-ylethanone
CID 25233871
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
tert-butyl 4-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)piperazine-1-carboxylate
CID 60587742
2-[[anilino(piperidin-1-yl)methylidene]amino]-N-tert-butylacetamide
CID 111034583

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium (CID 8768496) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium is C[NH+](CC(=O)NC(C)(C)C)[C@H](C(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
The InChIKey is AHSOIQOXTFALBW-SFHVURJKSA-O. The full InChI is InChI=1S/C20H31N3O2/c1-20(2,3)21-17(24)15-22(4)18(16-11-7-5-8-12-16)19(25)23-13-9-6-10-14-23/h5,7-8,11-12,18H,6,9-10,13-15H2,1-4H3,(H,21,24)/p+1/t18-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium has a molecular weight of 346.50 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium is sourced from PubChem (CID 8768496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).