N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

C18H22N4O3 — CID 95583405

IUPACN-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-11-15(21-25-12)18(24)20-14-7-9-22(10-8-14)16(17(19)23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10H2,1H3,(H2,19,23)(H,20,24)/t16-/m1/s1
InChIKeyCLQYPIABQWSJMO-MRXNPFEDSA-N
MW342.40 g/mol
LogP1.40
Rot. Bonds5

About N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide

N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 95583405) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID95583405
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1
InChIInChI=1S/C18H22N4O3/c1-12-11-15(21-25-12)18(24)20-14-7-9-22(10-8-14)16(17(19)23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10H2,1H3,(H2,19,23)(H,20,24)/t16-/m1/s1
InChIKeyCLQYPIABQWSJMO-MRXNPFEDSA-N
XLogP1.40
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide (CID 95583405) is N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC2CCN([C@@H](C(N)=O)c3ccccc3)CC2)no1.
What is the InChIKey of N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is CLQYPIABQWSJMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-11-15(21-25-12)18(24)20-14-7-9-22(10-8-14)16(17(19)23)13-5-3-2-4-6-13/h2-6,11,14,16H,7-10H2,1H3,(H2,19,23)(H,20,24)/t16-/m1/s1.
What are the key properties of N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1R)-2-amino-2-oxo-1-phenylethyl]piperidin-4-yl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95583405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).