N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide

C22H33N3O2 — CID 15818986

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2CC3)CC1
InChIInChI=1S/C22H33N3O2/c1-27-21-5-3-2-4-20(21)25-14-12-24(13-15-25)11-10-23-22(26)19-16-17-6-8-18(19)9-7-17/h2-5,17-19H,6-16H2,1H3,(H,23,26)
InChIKeyLJRHXEMIZSJREY-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.76
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide (PubChem CID 15818986) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide
PubChem CID15818986
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2CC3)CC1
InChIInChI=1S/C22H33N3O2/c1-27-21-5-3-2-4-20(21)25-14-12-24(13-15-25)11-10-23-22(26)19-16-17-6-8-18(19)9-7-17/h2-5,17-19H,6-16H2,1H3,(H,23,26)
InChIKeyLJRHXEMIZSJREY-UHFFFAOYSA-N
XLogP2.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide (CID 15818986) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide is COc1ccccc1N1CCN(CCNC(=O)C2CC3CCC2CC3)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is LJRHXEMIZSJREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-27-21-5-3-2-4-20(21)25-14-12-24(13-15-25)11-10-23-22(26)19-16-17-6-8-18(19)9-7-17/h2-5,17-19H,6-16H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]bicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 15818986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).