N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide

C18H23N3O2 — CID 97113287

IUPACN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
SMILESCN(Cc1ccno1)C(=O)CN1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H23N3O2/c1-20(13-17-9-10-19-23-17)18(22)14-21-11-5-8-16(12-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3/t16-/m1/s1
InChIKeyIFIJPTUWTZLLJN-MRXNPFEDSA-N
MW313.40 g/mol
LogP2.51
Rot. Bonds5

About N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide

N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide (PubChem CID 97113287) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
PubChem CID97113287
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
SMILESCN(Cc1ccno1)C(=O)CN1CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H23N3O2/c1-20(13-17-9-10-19-23-17)18(22)14-21-11-5-8-16(12-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3/t16-/m1/s1
InChIKeyIFIJPTUWTZLLJN-MRXNPFEDSA-N
XLogP2.51
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3R)-3-phenylpiperidin-1-yl]acetamide
CID 97113286
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]acetamide
CID 97203898
N-methyl-2-[(3S)-3-phenylpiperidin-1-yl]-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)acetamide
CID 97283111
N-benzyl-N-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
CID 75462039
N-benzyl-N-methyl-2-(3-methylpiperidin-1-yl)acetamide
CID 108997429
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70756620
N-(furan-2-ylmethyl)-N-methyl-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95760400
N-(isoquinolin-5-ylmethyl)-N-methyl-2-(3-phenylpyrrolidin-1-yl)acetamide
CID 91773741
N-methyl-2-(3-phenylpyrrolidin-1-yl)-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)acetamide
CID 91786408
N-(furan-2-ylmethyl)-2-(3-hydroxypiperidin-1-yl)-N-methylacetamide
CID 60642561
2-[(3R)-3-aminopiperidin-1-yl]-N-(furan-2-ylmethyl)-N-methylacetamide
CID 102984585

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
The IUPAC name of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide (CID 97113287) is N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide is CN(Cc1ccno1)C(=O)CN1CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
The InChIKey is IFIJPTUWTZLLJN-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(13-17-9-10-19-23-17)18(22)14-21-11-5-8-16(12-21)15-6-3-2-4-7-15/h2-4,6-7,9-10,16H,5,8,11-14H2,1H3/t16-/m1/s1.
What are the key properties of N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide?
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[(3S)-3-phenylpiperidin-1-yl]acetamide is sourced from PubChem (CID 97113287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).