2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

C22H23ClFN3O2 — CID 60512038

IUPAC2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C22H23ClFN3O2/c1-26(13-16-4-2-3-5-18(16)24)21(28)14-27-10-8-15(9-11-27)22-25-19-12-17(23)6-7-20(19)29-22/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyPZENBKADEKMTJH-UHFFFAOYSA-N
MW415.90 g/mol
LogP4.46
Rot. Bonds5

About 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (PubChem CID 60512038) has the molecular formula C22H23ClFN3O2 and a molecular weight of 415.90 g/mol. Its IUPAC name is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
PubChem CID60512038
Molecular FormulaC22H23ClFN3O2
Molecular Weight415.90 g/mol
Exact Mass415.15
IUPAC Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1F)C(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C22H23ClFN3O2/c1-26(13-16-4-2-3-5-18(16)24)21(28)14-27-10-8-15(9-11-27)22-25-19-12-17(23)6-7-20(19)29-22/h2-7,12,15H,8-11,13-14H2,1H3
InChIKeyPZENBKADEKMTJH-UHFFFAOYSA-N
XLogP4.46
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 55837595
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 56525283
3-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 56525206
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329
3-[[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]methyl]benzoic acid
CID 122028708
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 55766693
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
4-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120564823
5-chloro-2-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-1,3-benzoxazole
CID 75615042
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 78900883
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 55837853

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide (CID 60512038) is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1F)C(=O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
The InChIKey is PZENBKADEKMTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2/c1-26(13-16-4-2-3-5-18(16)24)21(28)14-27-10-8-15(9-11-27)22-25-19-12-17(23)6-7-20(19)29-22/h2-7,12,15H,8-11,13-14H2,1H3.
What are the key properties of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide?
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide has a molecular weight of 415.90 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 60512038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).