N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C22H27ClN2O2 — CID 15923223

IUPACN-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2CCN(CCc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-27-21-8-7-19(16-20(21)23)24-22(26)15-18-10-13-25(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,24,26)
InChIKeyKVXRRAVVDANWIR-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.63
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 15923223) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID15923223
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCOc1ccc(NC(=O)CC2CCN(CCc3ccccc3)CC2)cc1Cl
InChIInChI=1S/C22H27ClN2O2/c1-27-21-8-7-19(16-20(21)23)24-22(26)15-18-10-13-25(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,24,26)
InChIKeyKVXRRAVVDANWIR-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
N-(3-chloro-4-methoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119675615
N-(3-chloro-4-methoxyphenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371221
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpyrrolidin-2-yl)acetamide
CID 110859521
N-(3-chloro-4-methoxyphenyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110859529
N-(3-chloro-4-methoxyphenyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78963334
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 42065157
N-(3-chloro-4-methoxyphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923559
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
1-[1-(2-phenylethyl)piperidin-4-yl]propan-2-one
CID 91066531
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 2655574
N'-(3,4-dimethylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886985

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 15923223) is N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide is COc1ccc(NC(=O)CC2CCN(CCc3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is KVXRRAVVDANWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-27-21-8-7-19(16-20(21)23)24-22(26)15-18-10-13-25(14-11-18)12-9-17-5-3-2-4-6-17/h2-8,16,18H,9-15H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 386.92 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 15923223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).