N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

C19H29N3O2 — CID 6468252

IUPACN-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-24-18-9-5-8-17(14-18)22-12-10-21(11-13-22)15-19(23)20-16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3,(H,20,23)
InChIKeyPGSSFDJWUIDQQT-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.27
Rot. Bonds5

About N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide

N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 6468252) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID6468252
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1cccc(N2CCN(CC(=O)NC3CCCCC3)CC2)c1
InChIInChI=1S/C19H29N3O2/c1-24-18-9-5-8-17(14-18)22-12-10-21(11-13-22)15-19(23)20-16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3,(H,20,23)
InChIKeyPGSSFDJWUIDQQT-UHFFFAOYSA-N
XLogP2.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6467557
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 40696474
N-cyclohexyl-2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 22195059
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
N-ethyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 78787987
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
N-butan-2-yl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 17401834
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(4-acetamidophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 41312804
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 38125172

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide (CID 6468252) is N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is COc1cccc(N2CCN(CC(=O)NC3CCCCC3)CC2)c1.
What is the InChIKey of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is PGSSFDJWUIDQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-24-18-9-5-8-17(14-18)22-12-10-21(11-13-22)15-19(23)20-16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3,(H,20,23).
What are the key properties of N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide?
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6468252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).