N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide

C24H35N5O2 — CID 78897300

IUPACN-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)CC1
InChIInChI=1S/C24H35N5O2/c1-18-9-11-21(12-10-18)27(3)22(30)17-28-13-15-29(16-14-28)19(2)24-25-23(26-31-24)20-7-5-4-6-8-20/h4-8,18-19,21H,9-17H2,1-3H3
InChIKeyXKYUVQSKVDHUBD-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.45
Rot. Bonds6

About N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide

N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide (PubChem CID 78897300) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
PubChem CID78897300
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
SMILESCC1CCC(N(C)C(=O)CN2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)CC1
InChIInChI=1S/C24H35N5O2/c1-18-9-11-21(12-10-18)27(3)22(30)17-28-13-15-29(16-14-28)19(2)24-25-23(26-31-24)20-7-5-4-6-8-20/h4-8,18-19,21H,9-17H2,1-3H3
InChIKeyXKYUVQSKVDHUBD-UHFFFAOYSA-N
XLogP3.45
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetic acid
CID 119924431
2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55432670
N-cyclohexyl-N-methyl-2-[4-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide
CID 95158985
5-[1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 75831255
1-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907313
1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-2-ol
CID 111489338
4-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 55682874
3-amino-2-methyl-1-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]butan-1-one
CID 120503166
3-phenyl-5-[1-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 55703237
5-[(1S)-1-[4-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)piperazin-1-yl]ethyl]-3-phenyl-1,2,4-oxadiazole
CID 99796008
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
methyl 3-[[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 78897308

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide (CID 78897300) is N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide is CC1CCC(N(C)C(=O)CN2CCN(C(C)c3nc(-c4ccccc4)no3)CC2)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
The InChIKey is XKYUVQSKVDHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-18-9-11-21(12-10-18)27(3)22(30)17-28-13-15-29(16-14-28)19(2)24-25-23(26-31-24)20-7-5-4-6-8-20/h4-8,18-19,21H,9-17H2,1-3H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide?
N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide has a molecular weight of 425.58 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 78897300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).