2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide

C22H37N3O2 — CID 40777339

IUPAC2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1
InChIInChI=1S/C22H37N3O2/c1-3-25(4-2)22(26)14-18-10-11-23-16-19(18)13-20-15-21(27-24-20)12-17-8-6-5-7-9-17/h15,17-19,23H,3-14,16H2,1-2H3/t18-,19-/m0/s1
InChIKeyXIQDOBJBNNAVOU-OALUTQOASA-N
MW375.56 g/mol
LogP3.82
Rot. Bonds8

About 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide

2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide (PubChem CID 40777339) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide
PubChem CID40777339
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC Name2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1
InChIInChI=1S/C22H37N3O2/c1-3-25(4-2)22(26)14-18-10-11-23-16-19(18)13-20-15-21(27-24-20)12-17-8-6-5-7-9-17/h15,17-19,23H,3-14,16H2,1-2H3/t18-,19-/m0/s1
InChIKeyXIQDOBJBNNAVOU-OALUTQOASA-N
XLogP3.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide (CID 40777339) is 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1.
What is the InChIKey of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide?
The InChIKey is XIQDOBJBNNAVOU-OALUTQOASA-N. The full InChI is InChI=1S/C22H37N3O2/c1-3-25(4-2)22(26)14-18-10-11-23-16-19(18)13-20-15-21(27-24-20)12-17-8-6-5-7-9-17/h15,17-19,23H,3-14,16H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide?
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide has a molecular weight of 375.56 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 40777339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).