[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C22H30N4O2 — CID 3853938

IUPAC[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNC(Cc1ccccc1)c1nc(C(=O)N2CCC(N3CCCCC3)CC2)co1
InChIInChI=1S/C22H30N4O2/c23-19(15-17-7-3-1-4-8-17)21-24-20(16-28-21)22(27)26-13-9-18(10-14-26)25-11-5-2-6-12-25/h1,3-4,7-8,16,18-19H,2,5-6,9-15,23H2
InChIKeyHFKHFGOZCDASNC-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.01
Rot. Bonds5

About [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 3853938) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID3853938
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESNC(Cc1ccccc1)c1nc(C(=O)N2CCC(N3CCCCC3)CC2)co1
InChIInChI=1S/C22H30N4O2/c23-19(15-17-7-3-1-4-8-17)21-24-20(16-28-21)22(27)26-13-9-18(10-14-26)25-11-5-2-6-12-25/h1,3-4,7-8,16,18-19H,2,5-6,9-15,23H2
InChIKeyHFKHFGOZCDASNC-UHFFFAOYSA-N
XLogP3.01
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone with MolForge

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Related Compounds

ethyl 1-[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]piperidine-4-carboxylate
CID 3865870
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
[2-(1-aminopropyl)-1,3-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 3859728
2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3788135
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
(1R)-2-phenyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104902244
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
[2-(1-amino-2-methylpropyl)-1,3-oxazol-4-yl]-(azepan-1-yl)methanone
CID 3847869
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
[2-(1-amino-3-methylbutyl)-1,3-oxazol-4-yl]-(4-benzhydrylpiperazin-1-yl)methanone
CID 3682219
piperidin-1-yl-(2-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 141385532
4-methyl-N-[(1R)-2-phenyl-1-[4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 171911097

Frequently Asked Questions

What is the IUPAC name of [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 3853938) is [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is NC(Cc1ccccc1)c1nc(C(=O)N2CCC(N3CCCCC3)CC2)co1.
What is the InChIKey of [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is HFKHFGOZCDASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c23-19(15-17-7-3-1-4-8-17)21-24-20(16-28-21)22(27)26-13-9-18(10-14-26)25-11-5-2-6-12-25/h1,3-4,7-8,16,18-19H,2,5-6,9-15,23H2.
What are the key properties of [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-amino-2-phenylethyl)-1,3-oxazol-4-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 3853938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).