N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

C18H30N4O2 — CID 8994128

IUPACN-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)no1
InChIInChI=1S/C18H30N4O2/c1-14-5-3-4-6-17(14)19-18(23)13-22-9-7-21(8-10-22)12-16-11-15(2)24-20-16/h11,14,17H,3-10,12-13H2,1-2H3,(H,19,23)/t14-,17+/m0/s1
InChIKeyISBOBOZFTHYVRE-WMLDXEAASA-N
MW334.46 g/mol
LogP1.80
Rot. Bonds5

About N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide

N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 8994128) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
PubChem CID8994128
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cc(CN2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)no1
InChIInChI=1S/C18H30N4O2/c1-14-5-3-4-6-17(14)19-18(23)13-22-9-7-21(8-10-22)12-16-11-15(2)24-20-16/h11,14,17H,3-10,12-13H2,1-2H3,(H,19,23)/t14-,17+/m0/s1
InChIKeyISBOBOZFTHYVRE-WMLDXEAASA-N
XLogP1.80
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 9262254
N-[2-(cyclohexylmethyl)pyrazol-3-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 60504017
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8743015
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 71942307
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
5-methyl-N-[1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]piperidin-4-yl]furan-2-carboxamide
CID 49447313
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8591406
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
5-methyl-3-[[4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 94081831

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide (CID 8994128) is N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is Cc1cc(CN2CCN(CC(=O)N[C@@H]3CCCC[C@@H]3C)CC2)no1.
What is the InChIKey of N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is ISBOBOZFTHYVRE-WMLDXEAASA-N. The full InChI is InChI=1S/C18H30N4O2/c1-14-5-3-4-6-17(14)19-18(23)13-22-9-7-21(8-10-22)12-16-11-15(2)24-20-16/h11,14,17H,3-10,12-13H2,1-2H3,(H,19,23)/t14-,17+/m0/s1.
What are the key properties of N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide?
N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 334.46 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-methylcyclohexyl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 8994128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).