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

C22H25N3O2 — CID 121109401

IUPACN-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-15-7-8-16(2)18(13-15)21(26)23-14-17-9-11-25(12-10-17)22-24-19-5-3-4-6-20(19)27-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyZNTBDYKKGGQRBZ-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.09
Rot. Bonds4

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

N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide (PubChem CID 121109401) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
PubChem CID121109401
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1
InChIInChI=1S/C22H25N3O2/c1-15-7-8-16(2)18(13-15)21(26)23-14-17-9-11-25(12-10-17)22-24-19-5-3-4-6-20(19)27-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyZNTBDYKKGGQRBZ-UHFFFAOYSA-N
XLogP4.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-chlorobenzamide
CID 121109413
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3,5-dichlorobenzamide
CID 121109471
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]butanamide
CID 121109371
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 131893638
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 121107967
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-propan-2-ylurea
CID 121109518
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 121107989
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-benzylurea
CID 121109523
tert-butyl N-[[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methyl]carbamate
CID 71632456
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 100676870
1-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-3-(3,4-dichlorophenyl)urea
CID 121109546

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide?
The IUPAC name of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide (CID 121109401) is N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC2CCN(c3nc4ccccc4o3)CC2)c1.
What is the InChIKey of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide?
The InChIKey is ZNTBDYKKGGQRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-7-8-16(2)18(13-15)21(26)23-14-17-9-11-25(12-10-17)22-24-19-5-3-4-6-20(19)27-22/h3-8,13,17H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide?
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2,5-dimethylbenzamide is sourced from PubChem (CID 121109401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).