N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

C22H33N3O3 — CID 35227706

IUPACN-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)NC3CCCCCCC3)CC2)c1
InChIInChI=1S/C22H33N3O3/c1-28-20-11-7-8-18(16-20)22(27)25-14-12-24(13-15-25)17-21(26)23-19-9-5-3-2-4-6-10-19/h7-8,11,16,19H,2-6,9-10,12-15,17H2,1H3,(H,23,26)
InChIKeyDPTJCCGFPVYQSQ-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.68
Rot. Bonds5

About N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide

N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (PubChem CID 35227706) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
PubChem CID35227706
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCN(CC(=O)NC3CCCCCCC3)CC2)c1
InChIInChI=1S/C22H33N3O3/c1-28-20-11-7-8-18(16-20)22(27)25-14-12-24(13-15-25)17-21(26)23-19-9-5-3-2-4-6-10-19/h7-8,11,16,19H,2-6,9-10,12-15,17H2,1H3,(H,23,26)
InChIKeyDPTJCCGFPVYQSQ-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 87017869
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
N-cyclopropyl-2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]acetamide
CID 37105606
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
(4-cycloheptylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 113074909
2-[4-(3-methoxybenzoyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 35228408
N-cyclohexyl-1-[1-(3-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693267

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide (CID 35227706) is N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is COc1cccc(C(=O)N2CCN(CC(=O)NC3CCCCCCC3)CC2)c1.
What is the InChIKey of N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
The InChIKey is DPTJCCGFPVYQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-28-20-11-7-8-18(16-20)22(27)25-14-12-24(13-15-25)17-21(26)23-19-9-5-3-2-4-6-10-19/h7-8,11,16,19H,2-6,9-10,12-15,17H2,1H3,(H,23,26).
What are the key properties of N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide?
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide has a molecular weight of 387.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 35227706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).