2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

C21H28ClN3O2 — CID 21174699

IUPAC2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H28ClN3O2/c22-18-3-1-2-4-19(18)23-20(26)14-24-7-9-25(10-8-24)21(27)13-17-12-15-5-6-16(17)11-15/h1-4,15-17H,5-14H2,(H,23,26)/t15-,16-,17-/m1/s1
InChIKeyFFDACOOQPWFGMF-BRWVUGGUSA-N
MW389.93 g/mol
LogP3.25
Rot. Bonds5

About 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide

2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (PubChem CID 21174699) has the molecular formula C21H28ClN3O2 and a molecular weight of 389.93 g/mol. Its IUPAC name is 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
PubChem CID21174699
Molecular FormulaC21H28ClN3O2
Molecular Weight389.93 g/mol
Exact Mass389.19
IUPAC Name2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
SMILESO=C(CN1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)CC1)Nc1ccccc1Cl
InChIInChI=1S/C21H28ClN3O2/c22-18-3-1-2-4-19(18)23-20(26)14-24-7-9-25(10-8-24)21(27)13-17-12-15-5-6-16(17)11-15/h1-4,15-17H,5-14H2,(H,23,26)/t15-,16-,17-/m1/s1
InChIKeyFFDACOOQPWFGMF-BRWVUGGUSA-N
XLogP3.25
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.93
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 21174709
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 98752000
2-[4-(2-anilinoacetyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833675
phenyl 4-[2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazine-1-carboxylate
CID 98786241
N-(2-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 24832355
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19295318
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 98773906

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The IUPAC name of 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide (CID 21174699) is 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is O=C(CN1CCN(C(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)CC1)Nc1ccccc1Cl.
What is the InChIKey of 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
The InChIKey is FFDACOOQPWFGMF-BRWVUGGUSA-N. The full InChI is InChI=1S/C21H28ClN3O2/c22-18-3-1-2-4-19(18)23-20(26)14-24-7-9-25(10-8-24)21(27)13-17-12-15-5-6-16(17)11-15/h1-4,15-17H,5-14H2,(H,23,26)/t15-,16-,17-/m1/s1.
What are the key properties of 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide?
2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide has a molecular weight of 389.93 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide is sourced from PubChem (CID 21174699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).