N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide

C19H32N4O2 — CID 99816163

IUPACN-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2noc(C[C@@H]3CCCC(C)(C)C3)n2)CCN(C)CC1
InChIInChI=1S/C19H32N4O2/c1-14(24)21-19(8-10-23(4)11-9-19)17-20-16(25-22-17)12-15-6-5-7-18(2,3)13-15/h15H,5-13H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyHEQOEKWQABUPOQ-HNNXBMFYSA-N
MW348.49 g/mol
LogP2.89
Rot. Bonds4

About N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide

N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide (PubChem CID 99816163) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide
PubChem CID99816163
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide
SMILESCC(=O)NC1(c2noc(C[C@@H]3CCCC(C)(C)C3)n2)CCN(C)CC1
InChIInChI=1S/C19H32N4O2/c1-14(24)21-19(8-10-23(4)11-9-19)17-20-16(25-22-17)12-15-6-5-7-18(2,3)13-15/h15H,5-13H2,1-4H3,(H,21,24)/t15-/m0/s1
InChIKeyHEQOEKWQABUPOQ-HNNXBMFYSA-N
XLogP2.89
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-acetyl-N-[1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]pyrrolidine-2-carboxamide
CID 97093000
N-[1-[5-(3-oxo-3-piperazin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 119402321
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
CID 119477173
N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
CID 136533178
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]propanamide
CID 56558994
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427167
N-[(3R)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-yl]acetamide
CID 129331110
N-[1-[5-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide;hydrochloride
CID 120571096
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)ethyl]propanamide
CID 119502551
N-[1-[5-[3-[2-(4-methoxyphenyl)azepan-1-yl]-3-oxopropyl]-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 60573493
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
1-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine;hydrochloride
CID 71757439

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide?
The IUPAC name of N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide (CID 99816163) is N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide?
The canonical SMILES for N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide is CC(=O)NC1(c2noc(C[C@@H]3CCCC(C)(C)C3)n2)CCN(C)CC1.
What is the InChIKey of N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide?
The InChIKey is HEQOEKWQABUPOQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-14(24)21-19(8-10-23(4)11-9-19)17-20-16(25-22-17)12-15-6-5-7-18(2,3)13-15/h15H,5-13H2,1-4H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide?
N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide has a molecular weight of 348.49 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[[(1R)-3,3-dimethylcyclohexyl]methyl]-1,2,4-oxadiazol-3-yl]-1-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 99816163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).