2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide

C22H24ClN3O2 — CID 55766693

IUPAC2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C22H24ClN3O2/c1-25(2)22(27)20(15-6-4-3-5-7-15)26-12-10-16(11-13-26)21-24-18-14-17(23)8-9-19(18)28-21/h3-9,14,16,20H,10-13H2,1-2H3
InChIKeySJMQAIFQFYVHGI-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.49
Rot. Bonds4

About 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide

2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide (PubChem CID 55766693) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
PubChem CID55766693
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide
SMILESCN(C)C(=O)C(c1ccccc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1
InChIInChI=1S/C22H24ClN3O2/c1-25(2)22(27)20(15-6-4-3-5-7-15)26-12-10-16(11-13-26)21-24-18-14-17(23)8-9-19(18)28-21/h3-9,14,16,20H,10-13H2,1-2H3
InChIKeySJMQAIFQFYVHGI-UHFFFAOYSA-N
XLogP4.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119953251
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-cyclopropylpropanamide
CID 60512011
N-(1,3-benzodioxol-5-yl)-2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]propanamide
CID 60511927
3-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-methylbutan-1-one
CID 120503150
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 55969204
(2S)-2-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 119856629
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 60512038
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-(2,5-difluorophenyl)propanamide
CID 55766507
methyl N-[2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl]carbamate
CID 51124820
4-amino-1-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]pentan-1-one;dihydrochloride
CID 120564823
[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methanone
CID 55969198

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The IUPAC name of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide (CID 55766693) is 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide.
What is the SMILES notation for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The canonical SMILES for 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide is CN(C)C(=O)C(c1ccccc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1.
What is the InChIKey of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
The InChIKey is SJMQAIFQFYVHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-25(2)22(27)20(15-6-4-3-5-7-15)26-12-10-16(11-13-26)21-24-18-14-17(23)8-9-19(18)28-21/h3-9,14,16,20H,10-13H2,1-2H3.
What are the key properties of 2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide?
2-[4-(5-chloro-1,3-benzoxazol-2-yl)piperidin-1-yl]-N,N-dimethyl-2-phenylacetamide has a molecular weight of 397.91 g/mol, XLogP of 4.49, 4 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,N-dimethyl-2-phenylacetamide is sourced from PubChem (CID 55766693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).