2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide

C21H28ClN3O3 — CID 154565157

IUPAC2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
SMILESCOCC1(NC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)CCCC1
InChIInChI=1S/C21H28ClN3O3/c1-27-14-21(8-2-3-9-21)24-19(26)11-15-5-4-10-25(13-15)20-23-17-7-6-16(22)12-18(17)28-20/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,24,26)
InChIKeyDXSROVRNSYNDGO-UHFFFAOYSA-N
MW405.93 g/mol
LogP4.16
Rot. Bonds6

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide (PubChem CID 154565157) has the molecular formula C21H28ClN3O3 and a molecular weight of 405.93 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
PubChem CID154565157
Molecular FormulaC21H28ClN3O3
Molecular Weight405.93 g/mol
Exact Mass405.18
IUPAC Name2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide
SMILESCOCC1(NC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)CCCC1
InChIInChI=1S/C21H28ClN3O3/c1-27-14-21(8-2-3-9-21)24-19(26)11-15-5-4-10-25(13-15)20-23-17-7-6-16(22)12-18(17)28-20/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,24,26)
InChIKeyDXSROVRNSYNDGO-UHFFFAOYSA-N
XLogP4.16
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide with MolForge

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Related Compounds

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide
CID 154821093
methyl 4-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]butanoate
CID 155493792
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 154815842
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 155509214
ethyl 3-[[2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]acetyl]amino]propanoate
CID 154563768
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-(3-propoxypropyl)acetamide
CID 154568516
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]acetamide
CID 154571479
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 154565362
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[2-(5-methylpyrazol-1-yl)ethyl]acetamide
CID 155499677
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[(3-methyl-4-pyridinyl)methyl]acetamide
CID 154569863
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-piperazin-1-ylethanone
CID 154571204
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-1-(1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 155939009

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide (CID 154565157) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide is COCC1(NC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)CCCC1.
What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
The InChIKey is DXSROVRNSYNDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN3O3/c1-27-14-21(8-2-3-9-21)24-19(26)11-15-5-4-10-25(13-15)20-23-17-7-6-16(22)12-18(17)28-20/h6-7,12,15H,2-5,8-11,13-14H2,1H3,(H,24,26).
What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide?
2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide has a molecular weight of 405.93 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(methoxymethyl)cyclopentyl]acetamide is sourced from PubChem (CID 154565157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).