N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide

C18H28N2O2 — CID 97259531

IUPACN-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2c(C)ccc(C(C)C)c2O)C1
InChIInChI=1S/C18H28N2O2/c1-12(2)16-8-7-13(3)17(18(16)22)11-20-9-5-6-15(10-20)19-14(4)21/h7-8,12,15,22H,5-6,9-11H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyJZAPPRVMVXCBAG-HNNXBMFYSA-N
MW304.43 g/mol
LogP2.92
Rot. Bonds4

About N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide

N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide (PubChem CID 97259531) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
PubChem CID97259531
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(Cc2c(C)ccc(C(C)C)c2O)C1
InChIInChI=1S/C18H28N2O2/c1-12(2)16-8-7-13(3)17(18(16)22)11-20-9-5-6-15(10-20)19-14(4)21/h7-8,12,15,22H,5-6,9-11H2,1-4H3,(H,19,21)/t15-/m0/s1
InChIKeyJZAPPRVMVXCBAG-HNNXBMFYSA-N
XLogP2.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[1-[(4-methoxy-2,3,6-trimethylphenyl)methyl]piperidin-3-yl]acetamide
CID 77080451
N-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]acetamide
CID 99589276
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 134803652
N-[(3S)-1-[[4-(difluoromethylsulfanyl)phenyl]methyl]piperidin-3-yl]acetamide
CID 94801163
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
2-(3-acetamidopiperidin-1-yl)-N-(4-methylphenyl)acetamide
CID 60511665
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308
N-[1-[3-(methanesulfonamido)propyl]piperidin-3-yl]acetamide
CID 86842614

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide (CID 97259531) is N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2c(C)ccc(C(C)C)c2O)C1.
What is the InChIKey of N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide?
The InChIKey is JZAPPRVMVXCBAG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)16-8-7-13(3)17(18(16)22)11-20-9-5-6-15(10-20)19-14(4)21/h7-8,12,15,22H,5-6,9-11H2,1-4H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 304.43 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2-hydroxy-6-methyl-3-propan-2-ylphenyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97259531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).