3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one

C26H33N3O3 — CID 129279660

IUPAC3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c30-26-29(13-4-17-32-26)22-7-9-23(10-8-22)31-18-16-28-14-11-21(12-15-28)27-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,21,24-25,27H,4,11-19H2/t24-,25+/m0/s1
InChIKeyHIAQCTRDBYFNPL-LOSJGSFVSA-N
MW435.57 g/mol
LogP4.02
Rot. Bonds8

About 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one

3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one (PubChem CID 129279660) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one
PubChem CID129279660
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one
SMILESO=C1OCCCN1c1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C26H33N3O3/c30-26-29(13-4-17-32-26)22-7-9-23(10-8-22)31-18-16-28-14-11-21(12-15-28)27-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,21,24-25,27H,4,11-19H2/t24-,25+/m0/s1
InChIKeyHIAQCTRDBYFNPL-LOSJGSFVSA-N
XLogP4.02
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one with MolForge

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Related Compounds

1-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129280571
6-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]-3H-1,3-benzoxazol-2-one
CID 129280538
1-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethylamino]phenyl]pyrrolidin-2-one
CID 129279672
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279690
1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279729
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279734
(2S)-1-phenoxy-3-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]piperidin-1-yl]propan-2-ol
CID 129279650
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
3-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 134018813
4-[2-[4-[[(1R,2R)-2-phenylcyclopropyl]methyl]piperidin-1-yl]ethoxy]benzoic acid
CID 159855488

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one?
The IUPAC name of 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one (CID 129279660) is 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one.
What is the SMILES notation for 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one?
The canonical SMILES for 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one is O=C1OCCCN1c1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one?
The InChIKey is HIAQCTRDBYFNPL-LOSJGSFVSA-N. The full InChI is InChI=1S/C26H33N3O3/c30-26-29(13-4-17-32-26)22-7-9-23(10-8-22)31-18-16-28-14-11-21(12-15-28)27-25-19-24(25)20-5-2-1-3-6-20/h1-3,5-10,21,24-25,27H,4,11-19H2/t24-,25+/m0/s1.
What are the key properties of 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one?
3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one has a molecular weight of 435.57 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 129279660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).