N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

C21H28N4O2 — CID 72912208

IUPACN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H28N4O2/c1-24(14-11-19-22-20(27-23-19)17-9-10-17)21(26)18-7-5-16(6-8-18)15-25-12-3-2-4-13-25/h5-8,17H,2-4,9-15H2,1H3
InChIKeyZNAUIMIMKKPREC-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide

N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 72912208) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
PubChem CID72912208
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide
SMILESCN(CCc1noc(C2CC2)n1)C(=O)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H28N4O2/c1-24(14-11-19-22-20(27-23-19)17-9-10-17)21(26)18-7-5-16(6-8-18)15-25-12-3-2-4-13-25/h5-8,17H,2-4,9-15H2,1H3
InChIKeyZNAUIMIMKKPREC-UHFFFAOYSA-N
XLogP3.25
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-morpholin-4-ylsulfonylbenzamide
CID 53055565
N-methyl-N-[2-[(2S)-oxan-2-yl]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 97201362
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3-dimethylbenzamide
CID 46290783
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-(3-methyl-2-oxopyrrolidin-1-yl)acetamide
CID 72877654
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 50977273
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-2-phenylsulfanylacetamide
CID 53055557
4-[(4-ethylpiperazin-1-yl)methyl]-N-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 123169079
1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(4-ethylphenyl)-1-methylurea
CID 53055084
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-9H-fluorene-9-carboxamide
CID 118783486
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 50954397

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide (CID 72912208) is N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is CN(CCc1noc(C2CC2)n1)C(=O)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is ZNAUIMIMKKPREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24(14-11-19-22-20(27-23-19)17-9-10-17)21(26)18-7-5-16(6-8-18)15-25-12-3-2-4-13-25/h5-8,17H,2-4,9-15H2,1H3.
What are the key properties of N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide?
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 368.48 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N-methyl-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 72912208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).