N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

C21H29N3O2 — CID 40777368

IUPACN,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H29N3O2/c1-3-24(4-2)21(25)13-17-10-11-22-15-18(17)12-19-14-20(26-23-19)16-8-6-5-7-9-16/h5-9,14,17-18,22H,3-4,10-13,15H2,1-2H3/t17-,18-/m0/s1
InChIKeyDBEDHASQTUTYLE-ROUUACIJSA-N
MW355.48 g/mol
LogP3.37
Rot. Bonds7

About N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide

N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 40777368) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID40777368
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C21H29N3O2/c1-3-24(4-2)21(25)13-17-10-11-22-15-18(17)12-19-14-20(26-23-19)16-8-6-5-7-9-16/h5-9,14,17-18,22H,3-4,10-13,15H2,1-2H3/t17-,18-/m0/s1
InChIKeyDBEDHASQTUTYLE-ROUUACIJSA-N
XLogP3.37
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 40777368) is N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(-c2ccccc2)on1.
What is the InChIKey of N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is DBEDHASQTUTYLE-ROUUACIJSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-3-24(4-2)21(25)13-17-10-11-22-15-18(17)12-19-14-20(26-23-19)16-8-6-5-7-9-16/h5-9,14,17-18,22H,3-4,10-13,15H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3R,4S)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 40777368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).