N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide

C22H31N3O4 — CID 154571480

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide
SMILESCOc1ccc2oc(N3CCCC(CC(=O)N(C)CC4(CO)CCC4)C3)nc2c1
InChIInChI=1S/C22H31N3O4/c1-24(14-22(15-26)8-4-9-22)20(27)11-16-5-3-10-25(13-16)21-23-18-12-17(28-2)6-7-19(18)29-21/h6-7,12,16,26H,3-5,8-11,13-15H2,1-2H3
InChIKeyNLHGCKBKJDTRCZ-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.06
Rot. Bonds7

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide (PubChem CID 154571480) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide
PubChem CID154571480
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide
SMILESCOc1ccc2oc(N3CCCC(CC(=O)N(C)CC4(CO)CCC4)C3)nc2c1
InChIInChI=1S/C22H31N3O4/c1-24(14-22(15-26)8-4-9-22)20(27)11-16-5-3-10-25(13-16)21-23-18-12-17(28-2)6-7-19(18)29-21/h6-7,12,16,26H,3-5,8-11,13-15H2,1-2H3
InChIKeyNLHGCKBKJDTRCZ-UHFFFAOYSA-N
XLogP3.06
TPSA79.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154567874
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 154819564
N-(1-cyclopentylcyclopropyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154818013
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-[4-(methoxymethyl)piperidin-1-yl]ethanone
CID 154822976
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 154571521
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154820253
ethyl 3-[[2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 155505002
N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154820589
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 154569342
2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]acetamide
CID 154570710
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 154569018
N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
CID 154821408

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide (CID 154571480) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide is COc1ccc2oc(N3CCCC(CC(=O)N(C)CC4(CO)CCC4)C3)nc2c1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide?
The InChIKey is NLHGCKBKJDTRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-24(14-22(15-26)8-4-9-22)20(27)11-16-5-3-10-25(13-16)21-23-18-12-17(28-2)6-7-19(18)29-21/h6-7,12,16,26H,3-5,8-11,13-15H2,1-2H3.
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide has a molecular weight of 401.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 154571480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).